N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C27H30ClN5O2 — CID 5308205

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C27H30ClN5O2/c1-30-24(18-22-25(30)21-9-3-4-10-23(21)31(2)27(22)35)26(34)29-11-6-12-32-13-15-33(16-14-32)20-8-5-7-19(28)17-20/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,34)
InChIKeyFOQIDWRIGLTMJC-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.63
Rot. Bonds6

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5308205) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5308205
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C27H30ClN5O2/c1-30-24(18-22-25(30)21-9-3-4-10-23(21)31(2)27(22)35)26(34)29-11-6-12-32-13-15-33(16-14-32)20-8-5-7-19(28)17-20/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,34)
InChIKeyFOQIDWRIGLTMJC-UHFFFAOYSA-N
XLogP3.63
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5308205) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is FOQIDWRIGLTMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2/c1-30-24(18-22-25(30)21-9-3-4-10-23(21)31(2)27(22)35)26(34)29-11-6-12-32-13-15-33(16-14-32)20-8-5-7-19(28)17-20/h3-5,7-10,17-18H,6,11-16H2,1-2H3,(H,29,34).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 492.02 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5308205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).