2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

C20H21N5O2 — CID 52947769

IUPAC2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCOc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)cc1
InChIInChI=1S/C20H21N5O2/c1-25-11-16(19(21)26)15-8-5-13-10-23-20(24-17(13)18(15)25)22-9-12-3-6-14(27-2)7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyBTKRPPLRYLYGOR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.30
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide

2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (PubChem CID 52947769) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
PubChem CID52947769
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
SMILESCOc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)cc1
InChIInChI=1S/C20H21N5O2/c1-25-11-16(19(21)26)15-8-5-13-10-23-20(24-17(13)18(15)25)22-9-12-3-6-14(27-2)7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,21,26)(H,22,23,24)
InChIKeyBTKRPPLRYLYGOR-UHFFFAOYSA-N
XLogP2.30
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-4-methoxybenzamide
CID 664252
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-methoxybenzenecarboxamide
CID 2769015
7-(4-methoxyphenyl)-2-(phenylamino)-7,8-dihydroquinazolin-5(6H)-one
CID 16490582
4-(4-Methoxyphenyl)spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 42646194
4-(4-Methoxyphenyl)-1'-methylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 42646706
8-[(4-Methoxybenzyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 45141800
8-[(2-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo-[4,3-h]quinazoline-3-carboxamide
CID 46886960
8-[(4-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H-pyrazolo-[4,3-h]quinazoline-3-carboxamide
CID 46887030
1'-Methyl-4-[4-(2-morpholin-4-ylethoxy)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 56666416
4-(4-Methoxyphenyl)spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 56673317
4-[4-(2-Morpholin-4-ylethoxy)phenyl]spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 56676658

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide (CID 52947769) is 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is COc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)cn2C)CC3)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
The InChIKey is BTKRPPLRYLYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-11-16(19(21)26)15-8-5-13-10-23-20(24-17(13)18(15)25)22-9-12-3-6-14(27-2)7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,21,26)(H,22,23,24).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide?
2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-9-methyl-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide is sourced from PubChem (CID 52947769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).