N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide

C32H28N4O5 — CID 174801162

IUPACN-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide
SMILESCOc1ccc2cc(=O)n(-c3cccc(-c4ccc(NC=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)n2c1
InChIInChI=1S/C32H28N4O5/c1-18-22(6-5-7-27(18)36-28(38)15-20-9-10-21(41-4)16-35(20)31(36)39)23-12-13-25(33-17-37)30-29(23)24-11-8-19(32(2,3)40)14-26(24)34-30/h5-17,34,40H,1-4H3,(H,33,37)
InChIKeyGQBQPKFRLUXJFZ-UHFFFAOYSA-N
MW548.60 g/mol
LogP4.86
Rot. Bonds6

About N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide

N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide (PubChem CID 174801162) has the molecular formula C32H28N4O5 and a molecular weight of 548.60 g/mol. Its IUPAC name is N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide.

Molecular Properties

Compound NameN-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide
PubChem CID174801162
Molecular FormulaC32H28N4O5
Molecular Weight548.60 g/mol
Exact Mass548.21
IUPAC NameN-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide
SMILESCOc1ccc2cc(=O)n(-c3cccc(-c4ccc(NC=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)n2c1
InChIInChI=1S/C32H28N4O5/c1-18-22(6-5-7-27(18)36-28(38)15-20-9-10-21(41-4)16-35(20)31(36)39)23-12-13-25(33-17-37)30-29(23)24-11-8-19(32(2,3)40)14-26(24)34-30/h5-17,34,40H,1-4H3,(H,33,37)
InChIKeyGQBQPKFRLUXJFZ-UHFFFAOYSA-N
XLogP4.86
TPSA117.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.60
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide?
The IUPAC name of N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide (CID 174801162) is N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide.
What is the SMILES notation for N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide?
The canonical SMILES for N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide is COc1ccc2cc(=O)n(-c3cccc(-c4ccc(NC=O)c5[nH]c6cc(C(C)(C)O)ccc6c45)c3C)c(=O)n2c1.
What is the InChIKey of N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide?
The InChIKey is GQBQPKFRLUXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O5/c1-18-22(6-5-7-27(18)36-28(38)15-20-9-10-21(41-4)16-35(20)31(36)39)23-12-13-25(33-17-37)30-29(23)24-11-8-19(32(2,3)40)14-26(24)34-30/h5-17,34,40H,1-4H3,(H,33,37).
What are the key properties of N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide?
N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide has a molecular weight of 548.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-hydroxypropan-2-yl)-4-[3-(7-methoxy-1,3-dioxopyrido[1,2-c]pyrimidin-2-yl)-2-methylphenyl]-9H-carbazol-1-yl]formamide is sourced from PubChem (CID 174801162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).