4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

C31H25ClN4O4 — CID 162646229

IUPAC4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2cc(Cl)ccn2c1=O
InChIInChI=1S/C31H25ClN4O4/c1-16-20(5-4-6-25(16)36-26(37)15-19-14-18(32)11-12-35(19)30(36)39)21-9-10-23(29(33)38)28-27(21)22-8-7-17(31(2,3)40)13-24(22)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
InChIKeyZUUCBWJDNLSDEG-UHFFFAOYSA-N
MW553.02 g/mol
LogP5.04
Rot. Bonds4

About 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide

4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (PubChem CID 162646229) has the molecular formula C31H25ClN4O4 and a molecular weight of 553.02 g/mol. Its IUPAC name is 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
PubChem CID162646229
Molecular FormulaC31H25ClN4O4
Molecular Weight553.02 g/mol
Exact Mass552.16
IUPAC Name4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
SMILESCc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2cc(Cl)ccn2c1=O
InChIInChI=1S/C31H25ClN4O4/c1-16-20(5-4-6-25(16)36-26(37)15-19-14-18(32)11-12-35(19)30(36)39)21-9-10-23(29(33)38)28-27(21)22-8-7-17(31(2,3)40)13-24(22)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
InChIKeyZUUCBWJDNLSDEG-UHFFFAOYSA-N
XLogP5.04
TPSA122.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.02
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (CID 162646229) is 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide is Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2cc(Cl)ccn2c1=O.
What is the InChIKey of 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
The InChIKey is ZUUCBWJDNLSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN4O4/c1-16-20(5-4-6-25(16)36-26(37)15-19-14-18(32)11-12-35(19)30(36)39)21-9-10-23(29(33)38)28-27(21)22-8-7-17(31(2,3)40)13-24(22)34-28/h4-15,34,40H,1-3H3,(H2,33,38).
What are the key properties of 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide?
4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide has a molecular weight of 553.02 g/mol, XLogP of 5.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-chloro-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 162646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).