benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride

C99H125Br3Cl5N14O10PSi2 — CID 162050514

IUPACbenzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride
SMILESC.C#Cc1ccccn1.C1CCOC1.CC1(C)CCNC1=O.CC1(C)CCn2c1nc1cc(Br)ccc1c2=O.CC1CCNC1=O.CC1CCn2c1nc1cc(Br)ccc1c2=O.CC1CCn2c1nc1cc(Br)ccc1c2=O.CC1CCn2c1nc1cc(C#Cc3ccccn3)ccc1c2=O.C[Si](C)(C)Cl.C[Si](C)(C)N1CCCC1=O.Cl.O=C1CCCN1.O=P(Cl)(Cl)Cl.c1ccccc1
InChIInChI=1S/C19H15N3O.C13H13BrN2O.2C12H11BrN2O.C7H15NOSi.C7H5N.C6H11NO.C6H6.C5H9NO.C4H7NO.C4H8O.C3H9ClSi.CH4.Cl3OP.ClH/c1-13-9-11-22-18(13)21-17-12-14(6-8-16(17)19(22)23)5-7-15-4-2-3-10-20-15;1-13(2)5-6-16-11(17)9-4-3-8(14)7-10(9)15-12(13)16;2*1-7-4-5-15-11(7)14-10-6-8(13)2-3-9(10)12(15)16;1-10(2,3)8-6-4-5-7(8)9;1-2-7-5-3-4-6-8-7;1-6(2)3-4-7-5(6)8;1-2-4-6-5-3-1;1-4-2-3-6-5(4)7;6-4-2-1-3-5-4;1-2-4-5-3-1;1-5(2,3)4;;1-5(2,3)4;/h2-4,6,8,10,12-13H,9,11H2,1H3;3-4,7H,5-6H2,1-2H3;2*2-3,6-7H,4-5H2,1H3;4-6H2,1-3H3;1,3-6H;3-4H2,1-2H3,(H,7,8);1-6H;4H,2-3H2,1H3,(H,6,7);1-3H2,(H,5,6);1-4H2;1-3H3;1H4;;1H
InChIKeyXPVHHJUGFJJAPW-UHFFFAOYSA-N
MW2175.30 g/mol
LogP22.36
Rot. Bonds1

About benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride

benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride (PubChem CID 162050514) has the molecular formula C99H125Br3Cl5N14O10PSi2 and a molecular weight of 2175.30 g/mol. Its IUPAC name is benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Namebenzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride
PubChem CID162050514
Molecular FormulaC99H125Br3Cl5N14O10PSi2
Molecular Weight2175.30 g/mol
Exact Mass2168.50
IUPAC Namebenzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride
SMILESC.C#Cc1ccccn1.C1CCOC1.CC1(C)CCNC1=O.CC1(C)CCn2c1nc1cc(Br)ccc1c2=O.CC1CCNC1=O.CC1CCn2c1nc1cc(Br)ccc1c2=O.CC1CCn2c1nc1cc(Br)ccc1c2=O.CC1CCn2c1nc1cc(C#Cc3ccccn3)ccc1c2=O.C[Si](C)(C)Cl.C[Si](C)(C)N1CCCC1=O.Cl.O=C1CCCN1.O=P(Cl)(Cl)Cl.c1ccccc1
InChIInChI=1S/C19H15N3O.C13H13BrN2O.2C12H11BrN2O.C7H15NOSi.C7H5N.C6H11NO.C6H6.C5H9NO.C4H7NO.C4H8O.C3H9ClSi.CH4.Cl3OP.ClH/c1-13-9-11-22-18(13)21-17-12-14(6-8-16(17)19(22)23)5-7-15-4-2-3-10-20-15;1-13(2)5-6-16-11(17)9-4-3-8(14)7-10(9)15-12(13)16;2*1-7-4-5-15-11(7)14-10-6-8(13)2-3-9(10)12(15)16;1-10(2,3)8-6-4-5-7(8)9;1-2-7-5-3-4-6-8-7;1-6(2)3-4-7-5(6)8;1-2-4-6-5-3-1;1-4-2-3-6-5(4)7;6-4-2-1-3-5-4;1-2-4-5-3-1;1-5(2,3)4;;1-5(2,3)4;/h2-4,6,8,10,12-13H,9,11H2,1H3;3-4,7H,5-6H2,1-2H3;2*2-3,6-7H,4-5H2,1H3;4-6H2,1-3H3;1,3-6H;3-4H2,1-2H3,(H,7,8);1-6H;4H,2-3H2,1H3,(H,6,7);1-3H2,(H,5,6);1-4H2;1-3H3;1H4;;1H
InChIKeyXPVHHJUGFJJAPW-UHFFFAOYSA-N
XLogP22.36
TPSA299.25 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds1
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002175.30
LogP ≤ 522.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

2-amino-4-bromobenzoic acid;6-bromo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-ethynylpyridine;bis(6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);pyrrolidin-2-one;dihydrochloride
CID 159215604
6-bromo-1-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-ethynylpyridine;bis(1-(methoxymethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);hydrochloride
CID 161121258
2-amino-4-bromobenzoic acid;6-bromo-2,2-dimethyl-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;4,4-dimethylpyrrolidin-2-one;2-ethynylpyridine;thionyl dichloride
CID 169427170
8a-methyl-1,2,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-one;(2-amino-4-bromophenyl) formate;6-bromo-16-methyl-1,9,12-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one;2-ethynylpyridine;16-methyl-6-(2-pyridin-2-ylethynyl)-1,9,12-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-3(8),4,6,9-tetraen-2-one
CID 160975152
6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 58574855
8-hydroxy-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 58574163
(8S)-8-methoxy-8-methyl-3-(2-pyridin-2-ylethynyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 67260801
8-cyclopropyl-8-methyl-3-(2-pyridin-2-ylethynyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 90249508
8,8-dimethyl-3-[2-(3-methylphenyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;methane;7-methyl-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 161270914
2-(2-methoxyethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 71112615
6,6-difluoro-8,8-dimethyl-3-(2-pyridin-2-ylethynyl)-7,9-dihydropyrido[2,1-b]quinazolin-11-one
CID 53252339
10-methyl-3-(2-pyridin-2-ylethynyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 159666709

Frequently Asked Questions

What is the IUPAC name of benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride?
The IUPAC name of benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride (CID 162050514) is benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride is C.C#Cc1ccccn1.C1CCOC1.CC1(C)CCNC1=O.CC1(C)CCn2c1nc1cc(Br)ccc1c2=O.CC1CCNC1=O.CC1CCn2c1nc1cc(Br)ccc1c2=O.CC1CCn2c1nc1cc(Br)ccc1c2=O.CC1CCn2c1nc1cc(C#Cc3ccccn3)ccc1c2=O.C[Si](C)(C)Cl.C[Si](C)(C)N1CCCC1=O.Cl.O=C1CCCN1.O=P(Cl)(Cl)Cl.c1ccccc1.
What is the InChIKey of benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride?
The InChIKey is XPVHHJUGFJJAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O.C13H13BrN2O.2C12H11BrN2O.C7H15NOSi.C7H5N.C6H11NO.C6H6.C5H9NO.C4H7NO.C4H8O.C3H9ClSi.CH4.Cl3OP.ClH/c1-13-9-11-22-18(13)21-17-12-14(6-8-16(17)19(22)23)5-7-15-4-2-3-10-20-15;1-13(2)5-6-16-11(17)9-4-3-8(14)7-10(9)15-12(13)16;2*1-7-4-5-15-11(7)14-10-6-8(13)2-3-9(10)12(15)16;1-10(2,3)8-6-4-5-7(8)9;1-2-7-5-3-4-6-8-7;1-6(2)3-4-7-5(6)8;1-2-4-6-5-3-1;1-4-2-3-6-5(4)7;6-4-2-1-3-5-4;1-2-4-5-3-1;1-5(2,3)4;;1-5(2,3)4;/h2-4,6,8,10,12-13H,9,11H2,1H3;3-4,7H,5-6H2,1-2H3;2*2-3,6-7H,4-5H2,1H3;4-6H2,1-3H3;1,3-6H;3-4H2,1-2H3,(H,7,8);1-6H;4H,2-3H2,1H3,(H,6,7);1-3H2,(H,5,6);1-4H2;1-3H3;1H4;;1H.
What are the key properties of benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride?
benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride has a molecular weight of 2175.30 g/mol, XLogP of 22.36, 1 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(6-bromo-3-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one);chloro(trimethyl)silane;3,3-dimethylpyrrolidin-2-one;2-ethynylpyridine;methane;3-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;3-methylpyrrolidin-2-one;oxolane;phosphoryl trichloride;pyrrolidin-2-one;1-trimethylsilylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 162050514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).