5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline

C65H66BrN11O5 — CID 158903266

IUPAC5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline
SMILESCC1NC(=O)c2ccc(N3CCCc4cncnc43)cc21.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(N4CCCc5cncnc54)cc3C2C)cc1.c1ncc2c(n1)CCCC2
InChIInChI=1S/C24H24N4O2.C17H16BrNO2.C16H16N4O.C8H10N2/c1-16-22-12-19(27-11-3-4-18-13-25-15-26-23(18)27)7-10-21(22)24(29)28(16)14-17-5-8-20(30-2)9-6-17;1-11-16-9-13(18)5-8-15(16)17(20)19(11)10-12-3-6-14(21-2)7-4-12;1-10-14-7-12(4-5-13(14)16(21)19-10)20-6-2-3-11-8-17-9-18-15(11)20;1-2-4-8-7(3-1)5-9-6-10-8/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3;3-9,11H,10H2,1-2H3;4-5,7-10H,2-3,6H2,1H3,(H,19,21);5-6H,1-4H2
InChIKeyJFSGGAAVRYJKNE-UHFFFAOYSA-N
MW1161.22 g/mol
LogP12.18
Rot. Bonds8

About 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline

5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline (PubChem CID 158903266) has the molecular formula C65H66BrN11O5 and a molecular weight of 1161.22 g/mol. Its IUPAC name is 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline
PubChem CID158903266
Molecular FormulaC65H66BrN11O5
Molecular Weight1161.22 g/mol
Exact Mass1159.44
IUPAC Name5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline
SMILESCC1NC(=O)c2ccc(N3CCCc4cncnc43)cc21.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(N4CCCc5cncnc54)cc3C2C)cc1.c1ncc2c(n1)CCCC2
InChIInChI=1S/C24H24N4O2.C17H16BrNO2.C16H16N4O.C8H10N2/c1-16-22-12-19(27-11-3-4-18-13-25-15-26-23(18)27)7-10-21(22)24(29)28(16)14-17-5-8-20(30-2)9-6-17;1-11-16-9-13(18)5-8-15(16)17(20)19(11)10-12-3-6-14(21-2)7-4-12;1-10-14-7-12(4-5-13(14)16(21)19-10)20-6-2-3-11-8-17-9-18-15(11)20;1-2-4-8-7(3-1)5-9-6-10-8/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3;3-9,11H,10H2,1-2H3;4-5,7-10H,2-3,6H2,1H3,(H,19,21);5-6H,1-4H2
InChIKeyJFSGGAAVRYJKNE-UHFFFAOYSA-N
XLogP12.18
TPSA172.00 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.22
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;5'-[(6-amino-5-methylpyrimidin-4-yl)amino]-2'-[(4-methoxyphenyl)methyl]-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-1'-one;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-7-(trifluoromethyl)spiro[2H-isoindole-3,1'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-3H-isoindol-1-one;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-1'-one;methane;N-[6-[[2'-[(4-methoxyphenyl)methyl]-1'-oxo-7'-(trifluoromethyl)spiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 160011970
N-(6-aminopyrimidin-4-yl)acetamide;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;tert-butyl N-(6-acetamidopyrimidin-4-yl)carbamate;tert-butyl N-(6-chloropyrimidin-4-yl)carbamate;6-chloropyrimidin-4-amine;N-[6-[[2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindol-5-yl]amino]pyrimidin-4-yl]acetamide;bis(N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]acetamide);oxolane;hydrochloride
CID 157074141
5'-bromo-7'-chloro-2'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-1,3'-isoindole]-1'-one;7'-chloro-2'-[(4-methoxyphenyl)methyl]-5'-(pyrimidin-4-ylamino)spiro[cyclohexane-1,3'-isoindole]-1'-one;bis(7-chloro-5-(pyrimidin-4-ylamino)spiro[2H-isoindole-3,1'-cyclohexane]-1-one);pyrimidin-4-amine
CID 157171723
bis(5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one);5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one
CID 157180306
4-aminopyrimidine-5-carbonitrile;5-bromo-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;bis(4-[(1',7-dimethyl-1-oxospiro[2H-isoindole-3,4'-piperidine]-5-yl)amino]pyrimidine-5-carbonitrile);4-[[2-[(4-methoxyphenyl)methyl]-1',7-dimethyl-1-oxospiro[isoindole-3,4'-piperidine]-5-yl]amino]pyrimidine-5-carbonitrile
CID 157193390
5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3H-isoindol-1-one;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one
CID 157343135
5-bromo-7-chloro-2-[(4-methoxyphenyl)methyl]-3,3-dimethylisoindol-1-one;5-bromo-7-chloro-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;bis(7-chloro-3,3-dimethyl-5-(pyrimidin-4-ylamino)-2H-isoindol-1-one);7-chloro-2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-5-(pyrimidin-4-ylamino)isoindol-1-one;pyrimidin-4-amine
CID 157486419
5-bromo-7-fluoro-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;7H-cyclopenta[d]pyrimidine;7-fluoro-2-[(4-methoxyphenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yl-3H-isoindol-1-one;7-fluoro-5-pyrrolo[2,3-d]pyrimidin-7-yl-2,3-dihydroisoindol-1-one;(4-methoxyphenyl)methanamine;methyl 4-bromo-2-(bromomethyl)-6-fluorobenzoate;methyl 4-bromo-2-fluoro-6-methylbenzoate
CID 157535347
5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;5-(5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;7H-cyclopenta[d]pyrimidine;2-[(4-methoxyphenyl)methyl]-5-pyrrolo[2,3-d]pyrimidin-7-yl-3H-isoindol-1-one;2-[(4-methoxyphenyl)methyl]-5-[5-(1,3-thiazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;5-[5-(1,3-thiazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dihydroisoindol-1-one
CID 157695700
potassium;bis(5-[(6-amino-5-chloropyrimidin-4-yl)amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one);N-(6-amino-5-chloropyrimidin-4-yl)cyclopropanecarboxamide;5'-bromo-2'-[(4-methoxyphenyl)methyl]-7'-methylspiro[cyclohexane-1,3'-isoindole]-1'-one;N-[5-chloro-6-[[2'-[(4-methoxyphenyl)methyl]-7'-methyl-1'-oxospiro[cyclohexane-1,3'-isoindole]-5'-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide;N-[5-chloro-6-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157923274
potassium;bis(5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',7-dimethylspiro[2H-isoindole-3,4'-piperidine]-1-one);5-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;5-bromo-2-[(4-methoxyphenyl)methyl]-1',7-dimethylspiro[isoindole-3,4'-piperidine]-1-one;methane;N-[6-[[2-[(4-methoxyphenyl)methyl]-1',7-dimethyl-1-oxospiro[isoindole-3,4'-piperidine]-5-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide;hydroxide
CID 157987563
5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroisoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one;4-chloro-7H-cyclopenta[d]pyrimidine;methane;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-7H-cyclopenta[d]pyrimidin-4-amine;2-[(4-methoxyphenyl)methyl]-5-[4-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-3H-isoindol-1-one
CID 158153343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline (CID 158903266) is 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline is CC1NC(=O)c2ccc(N3CCCc4cncnc43)cc21.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(N4CCCc5cncnc54)cc3C2C)cc1.c1ncc2c(n1)CCCC2.
What is the InChIKey of 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline?
The InChIKey is JFSGGAAVRYJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.C17H16BrNO2.C16H16N4O.C8H10N2/c1-16-22-12-19(27-11-3-4-18-13-25-15-26-23(18)27)7-10-21(22)24(29)28(16)14-17-5-8-20(30-2)9-6-17;1-11-16-9-13(18)5-8-15(16)17(20)19(11)10-12-3-6-14(21-2)7-4-12;1-10-14-7-12(4-5-13(14)16(21)19-10)20-6-2-3-11-8-17-9-18-15(11)20;1-2-4-8-7(3-1)5-9-6-10-8/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3;3-9,11H,10H2,1-2H3;4-5,7-10H,2-3,6H2,1H3,(H,19,21);5-6H,1-4H2.
What are the key properties of 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline?
5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline has a molecular weight of 1161.22 g/mol, XLogP of 12.18, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-(6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl)-3-methyl-2,3-dihydroisoindol-1-one;5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 158903266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).