7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide

C34H32N4O3 — CID 171457679

IUPAC7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3c2c2ccc(C(C)(C)O)cc2n3C(C)C)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C34H32N4O3/c1-19(2)38-29-17-21(34(4,5)41)13-14-25(29)30-23(15-16-26(31(30)38)32(35)39)22-10-8-12-28(20(22)3)37-18-36-27-11-7-6-9-24(27)33(37)40/h6-19,41H,1-5H3,(H2,35,39)
InChIKeyWUGHRHRQVNKGMJ-UHFFFAOYSA-N
MW544.66 g/mol
LogP6.38
Rot. Bonds5

About 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide

7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide (PubChem CID 171457679) has the molecular formula C34H32N4O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide.

Molecular Properties

Compound Name7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
PubChem CID171457679
Molecular FormulaC34H32N4O3
Molecular Weight544.66 g/mol
Exact Mass544.25
IUPAC Name7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3c2c2ccc(C(C)(C)O)cc2n3C(C)C)cccc1-n1cnc2ccccc2c1=O
InChIInChI=1S/C34H32N4O3/c1-19(2)38-29-17-21(34(4,5)41)13-14-25(29)30-23(15-16-26(31(30)38)32(35)39)22-10-8-12-28(20(22)3)37-18-36-27-11-7-6-9-24(27)33(37)40/h6-19,41H,1-5H3,(H2,35,39)
InChIKeyWUGHRHRQVNKGMJ-UHFFFAOYSA-N
XLogP6.38
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(7-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366090
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 141366015
3-N,3-N-dimethyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-pyrido[3,4-b]indole-3,8-dicarboxamide
CID 70652011
4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-pyrimidin-5-yl-1H-indole-7-carboxamide
CID 86763132
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(2-methyl-1H-pyrazol-2-ium-4-yl)-1H-benzimidazole-4-carboxamide
CID 163411671
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-1H-indole-7-carboxamide
CID 121293860
3-N-methyl-5-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-indeno[2,1-c]pyridine-3,8-dicarboxamide
CID 159956886
2-[(E)-1-[2-hydroxyethyl-(methylideneamino)amino]prop-1-en-2-yl]-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indole-7-carboxamide
CID 139501178
5-[3-(8-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-3-(2-hydroxypropan-2-yl)-9H-indeno[2,1-c]pyridine-8-carboxamide
CID 158560035
7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-3H-benzimidazole-4-carbonitrile;7-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-benzimidazole-4-carboxamide
CID 157100775
4-[3-(3,4-dimethyl-2-oxopyrrolidin-1-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
CID 59375151
ethyl 3-[4-[7-carbamoyl-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-1H-indol-2-yl]cyclohept-4-en-1-yl]propanoate
CID 123553899

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide?
The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide (CID 171457679) is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide.
What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide?
The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3c2c2ccc(C(C)(C)O)cc2n3C(C)C)cccc1-n1cnc2ccccc2c1=O.
What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide?
The InChIKey is WUGHRHRQVNKGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O3/c1-19(2)38-29-17-21(34(4,5)41)13-14-25(29)30-23(15-16-26(31(30)38)32(35)39)22-10-8-12-28(20(22)3)37-18-36-27-11-7-6-9-24(27)33(37)40/h6-19,41H,1-5H3,(H2,35,39).
What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide?
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide has a molecular weight of 544.66 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9-propan-2-ylcarbazole-1-carboxamide is sourced from PubChem (CID 171457679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).