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

C32H35N7O3 — CID 11353568

IUPAC4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCCCn1c(=O)n(CCC)c2cc3c(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)ncnc3cc21
InChIInChI=1S/C32H35N7O3/c1-3-14-38-28-20-26-27(21-29(28)39(15-4-2)32(38)41)33-22-34-30(26)36-16-18-37(19-17-36)31(40)35-23-10-12-25(13-11-23)42-24-8-6-5-7-9-24/h5-13,20-22H,3-4,14-19H2,1-2H3,(H,35,40)
InChIKeyUJAXJPKZSZPTRE-UHFFFAOYSA-N
MW565.68 g/mol
LogP5.71
Rot. Bonds8

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

4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (PubChem CID 11353568) has the molecular formula C32H35N7O3 and a molecular weight of 565.68 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
PubChem CID11353568
Molecular FormulaC32H35N7O3
Molecular Weight565.68 g/mol
Exact Mass565.28
IUPAC Name4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
SMILESCCCn1c(=O)n(CCC)c2cc3c(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)ncnc3cc21
InChIInChI=1S/C32H35N7O3/c1-3-14-38-28-20-26-27(21-29(28)39(15-4-2)32(38)41)33-22-34-30(26)36-16-18-37(19-17-36)31(40)35-23-10-12-25(13-11-23)42-24-8-6-5-7-9-24/h5-13,20-22H,3-4,14-19H2,1-2H3,(H,35,40)
InChIKeyUJAXJPKZSZPTRE-UHFFFAOYSA-N
XLogP5.71
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-(6-methoxy-7-propoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 11752632
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10166902
N-(4-phenoxyphenyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707669
4-(6-methoxy-7-prop-2-enoxyquinazolin-4-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 10118413
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305
N-(4-butoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707356
4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]-N-(4-naphthalen-2-yloxyphenyl)piperazine-1-carboxamide
CID 10281714
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
4-(7-ethoxy-6-methoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 10115819
N-(4-phenoxyphenyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 11464443
N-(4-cyanophenyl)-4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10227162

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide (CID 11353568) is 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is CCCn1c(=O)n(CCC)c2cc3c(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)ncnc3cc21.
What is the InChIKey of 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UJAXJPKZSZPTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N7O3/c1-3-14-38-28-20-26-27(21-29(28)39(15-4-2)32(38)41)33-22-34-30(26)36-16-18-37(19-17-36)31(40)35-23-10-12-25(13-11-23)42-24-8-6-5-7-9-24/h5-13,20-22H,3-4,14-19H2,1-2H3,(H,35,40).
What are the key properties of 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide?
4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide has a molecular weight of 565.68 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dipropylimidazo[4,5-g]quinazolin-8-yl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11353568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).