6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C24H34ClN5O2 — CID 162664303

IUPAC6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCCCN2CCOCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C24H34ClN5O2/c25-19-5-6-22-20(17-19)21(24(31)27-8-12-29-10-3-4-11-29)18-23(28-22)26-7-1-2-9-30-13-15-32-16-14-30/h5-6,17-18H,1-4,7-16H2,(H,26,28)(H,27,31)
InChIKeyQQUMHSGJRQXGAU-UHFFFAOYSA-N
MW460.02 g/mol
LogP3.24
Rot. Bonds10

About 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 162664303) has the molecular formula C24H34ClN5O2 and a molecular weight of 460.02 g/mol. Its IUPAC name is 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID162664303
Molecular FormulaC24H34ClN5O2
Molecular Weight460.02 g/mol
Exact Mass459.24
IUPAC Name6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCCCN2CCOCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C24H34ClN5O2/c25-19-5-6-22-20(17-19)21(24(31)27-8-12-29-10-3-4-11-29)18-23(28-22)26-7-1-2-9-30-13-15-32-16-14-30/h5-6,17-18H,1-4,7-16H2,(H,26,28)(H,27,31)
InChIKeyQQUMHSGJRQXGAU-UHFFFAOYSA-N
XLogP3.24
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.02
LogP ≤ 53.24
H-Bond Donors ≤ 52
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 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 162664303) is 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(NCCCCN2CCOCC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is QQUMHSGJRQXGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O2/c25-19-5-6-22-20(17-19)21(24(31)27-8-12-29-10-3-4-11-29)18-23(28-22)26-7-1-2-9-30-13-15-32-16-14-30/h5-6,17-18H,1-4,7-16H2,(H,26,28)(H,27,31).
What are the key properties of 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 460.02 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-morpholin-4-ylbutylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162664303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).