4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one

C29H28Cl2N4O4 — CID 167441169

IUPAC4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C1CC2(CCN(C(=O)C3CN(c4ccc(Cl)c(Cl)c4)CCN3C(=O)c3cc(=O)[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C29H28Cl2N4O4/c30-22-6-5-18(13-23(22)31)34-11-12-35(27(38)21-14-26(37)32-24-4-2-1-3-20(21)24)25(17-34)28(39)33-9-7-29(8-10-33)15-19(36)16-29/h1-6,13-14,25H,7-12,15-17H2,(H,32,37)
InChIKeyGMPKULQCUAQCJQ-UHFFFAOYSA-N
MW567.47 g/mol
LogP4.14
Rot. Bonds3

About 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one

4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 167441169) has the molecular formula C29H28Cl2N4O4 and a molecular weight of 567.47 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID167441169
Molecular FormulaC29H28Cl2N4O4
Molecular Weight567.47 g/mol
Exact Mass566.15
IUPAC Name4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C1CC2(CCN(C(=O)C3CN(c4ccc(Cl)c(Cl)c4)CCN3C(=O)c3cc(=O)[nH]c4ccccc34)CC2)C1
InChIInChI=1S/C29H28Cl2N4O4/c30-22-6-5-18(13-23(22)31)34-11-12-35(27(38)21-14-26(37)32-24-4-2-1-3-20(21)24)25(17-34)28(39)33-9-7-29(8-10-33)15-19(36)16-29/h1-6,13-14,25H,7-12,15-17H2,(H,32,37)
InChIKeyGMPKULQCUAQCJQ-UHFFFAOYSA-N
XLogP4.14
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

4-(3,4-dichlorophenyl)-N-[2-(oxan-4-yl)ethyl]-1-(2-oxo-1H-quinoline-4-carbonyl)piperazine-2-carboxamide
CID 177380530
4-[9-(3,4-dichlorophenyl)-4-methyl-3,9-diazaspiro[5.5]undecane-3-carbonyl]-1H-quinolin-2-one
CID 167441183
4-[4-(3,4-dichlorophenyl)-2-methylpiperazine-1-carbonyl]-6-hydroxy-1H-quinolin-2-one
CID 167441126
1-(6-bromo-2-oxo-1H-quinoline-4-carbonyl)-N-(cyclohexylmethyl)-4-(3,4-dichlorophenyl)piperazine-2-carboxamide
CID 167441181
4-[3-butyl-4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 167441155
(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 166179285
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)-1-(6-methyl-2-oxo-1H-quinoline-4-carbonyl)piperazine-2-carboxamide
CID 175401617
4-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 26870155

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one (CID 167441169) is 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one is O=C1CC2(CCN(C(=O)C3CN(c4ccc(Cl)c(Cl)c4)CCN3C(=O)c3cc(=O)[nH]c4ccccc34)CC2)C1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is GMPKULQCUAQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O4/c30-22-6-5-18(13-23(22)31)34-11-12-35(27(38)21-14-26(37)32-24-4-2-1-3-20(21)24)25(17-34)28(39)33-9-7-29(8-10-33)15-19(36)16-29/h1-6,13-14,25H,7-12,15-17H2,(H,32,37).
What are the key properties of 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one?
4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 567.47 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)-2-(2-oxo-7-azaspiro[3.5]nonane-7-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 167441169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).