3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide

C31H26F2N4O4 — CID 134365684

About 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide

3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide (PubChem CID 134365684) has the molecular formula C31H26F2N4O4 and a molecular weight of 556.57 g/mol. Its IUPAC name is 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide
• PubChem CID: 134365684
• Molecular Formula: C31H26F2N4O4
• Molecular Weight: 556.57 g/mol
• Exact Mass: 556.19
• IUPAC Name: 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide
• SMILES: Cc1c(C2=C(F)CC(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c32)cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O
• InChI: InChI=1S/C31H26F2N4O4/c1-14-17(5-4-6-24(14)37-29(39)19-10-8-16(32)12-23(19)36-30(37)40)25-21(33)13-20(28(34)38)27-26(25)18-9-7-15(31(2,3)41)11-22(18)35-27/h4-12,20,35,41H,13H2,1-3H3,(H2,34,38)(H,36,40)
• InChIKey: OAYGQCYUHJOWOV-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 133.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.57
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?

The IUPAC name of 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide (CID 134365684) is 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide.

What is the SMILES notation for 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?

The canonical SMILES for 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide is Cc1c(C2=C(F)CC(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c32)cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O.

What is the InChIKey of 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?

The InChIKey is OAYGQCYUHJOWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N4O4/c1-14-17(5-4-6-24(14)37-29(39)19-10-8-16(32)12-23(19)36-30(37)40)25-21(33)13-20(28(34)38)27-26(25)18-9-7-15(31(2,3)41)11-22(18)35-27/h4-12,20,35,41H,13H2,1-3H3,(H2,34,38)(H,36,40).

What are the key properties of 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide?

3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide has a molecular weight of 556.57 g/mol, XLogP of 4.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[3-(7-fluoro-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-2,9-dihydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 134365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).