4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

C28H27N7O3 — CID 11156466

IUPAC4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCn1c(=O)n(C)c2cc3c(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)ncnc3cc21
InChIInChI=1S/C28H27N7O3/c1-32-24-16-22-23(17-25(24)33(2)28(32)37)29-18-30-26(22)34-12-14-35(15-13-34)27(36)31-19-8-10-21(11-9-19)38-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,31,36)
InChIKeyKMUWSIMUXBVXPU-UHFFFAOYSA-N
MW509.57 g/mol
LogP3.97
Rot. Bonds4

About 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide

4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11156466) has the molecular formula C28H27N7O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11156466
Molecular FormulaC28H27N7O3
Molecular Weight509.57 g/mol
Exact Mass509.22
IUPAC Name4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCn1c(=O)n(C)c2cc3c(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)ncnc3cc21
InChIInChI=1S/C28H27N7O3/c1-32-24-16-22-23(17-25(24)33(2)28(32)37)29-18-30-26(22)34-12-14-35(15-13-34)27(36)31-19-8-10-21(11-9-19)38-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,31,36)
InChIKeyKMUWSIMUXBVXPU-UHFFFAOYSA-N
XLogP3.97
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11156466) is 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is Cn1c(=O)n(C)c2cc3c(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)ncnc3cc21.
What is the InChIKey of 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is KMUWSIMUXBVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3/c1-32-24-16-22-23(17-25(24)33(2)28(32)37)29-18-30-26(22)34-12-14-35(15-13-34)27(36)31-19-8-10-21(11-9-19)38-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,31,36).
What are the key properties of 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2-oxoimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11156466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).