7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C32H32N4O3 — CID 141366296

About 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 141366296) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
• PubChem CID: 141366296
• Molecular Formula: C32H32N4O3
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.25
• IUPAC Name: 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
• SMILES: Cc1c(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1c(C)nc2ccccc2c1=O
• InChI: InChI=1S/C32H32N4O3/c1-17-20(9-7-11-27(17)36-18(2)34-25-10-6-5-8-23(25)31(36)38)21-14-15-24(30(33)37)29-28(21)22-13-12-19(32(3,4)39)16-26(22)35-29/h5-11,14-15,19,35,39H,12-13,16H2,1-4H3,(H2,33,37)
• InChIKey: QXAQMJVZUZEOCW-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 114.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

The IUPAC name of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 141366296) is 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

What is the SMILES notation for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

The canonical SMILES for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1c(C)nc2ccccc2c1=O.

What is the InChIKey of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

The InChIKey is QXAQMJVZUZEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-17-20(9-7-11-27(17)36-18(2)34-25-10-6-5-8-23(25)31(36)38)21-14-15-24(30(33)37)29-28(21)22-13-12-19(32(3,4)39)16-26(22)35-29/h5-11,14-15,19,35,39H,12-13,16H2,1-4H3,(H2,33,37).

What are the key properties of 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?

7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 5.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 141366296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).