2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one

C23H21ClN4O2 — CID 3244832

IUPAC2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one
SMILESCn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C23H21ClN4O2/c1-26-20(14-18-21(26)17-4-2-3-5-19(17)25-22(18)29)23(30)28-12-10-27(11-13-28)16-8-6-15(24)7-9-16/h2-9,14H,10-13H2,1H3,(H,25,29)
InChIKeyXFNSRFBWAHYTEY-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.64
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one

2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one (PubChem CID 3244832) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one
PubChem CID3244832
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one
SMILESCn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C23H21ClN4O2/c1-26-20(14-18-21(26)17-4-2-3-5-19(17)25-22(18)29)23(30)28-12-10-27(11-13-28)16-8-6-15(24)7-9-16/h2-9,14H,10-13H2,1H3,(H,25,29)
InChIKeyXFNSRFBWAHYTEY-UHFFFAOYSA-N
XLogP3.64
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one with MolForge

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Related Compounds

1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
CID 90644176
2-(4-benzylpiperazine-1-carbonyl)-1-methyl-4H-pyrrolo[3,2-c]isoquinolin-5-one
CID 90644178
[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
CID 20877123
(3-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 113204223
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
N-[2-(dimethylamino)ethyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 3706127
(4-chlorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013270
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754590
3-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086
4-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969190
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53068736

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one (CID 3244832) is 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one is Cn1c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc2c(=O)[nH]c3ccccc3c21.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one?
The InChIKey is XFNSRFBWAHYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-26-20(14-18-21(26)17-4-2-3-5-19(17)25-22(18)29)23(30)28-12-10-27(11-13-28)16-8-6-15(24)7-9-16/h2-9,14H,10-13H2,1H3,(H,25,29).
What are the key properties of 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one?
2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one has a molecular weight of 420.90 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-methyl-5H-pyrrolo[3,2-c]quinolin-4-one is sourced from PubChem (CID 3244832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).