N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide

C20H20ClN3O — CID 56586435

IUPACN-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCCCNc1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-14-18(13-15-12-16(21)8-9-19(15)24-14)20(25)23-11-5-10-22-17-6-3-2-4-7-17/h2-4,6-9,12-13,22H,5,10-11H2,1H3,(H,23,25)
InChIKeyONBJGMUSPFHKJP-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.43
Rot. Bonds6

About N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide

N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide (PubChem CID 56586435) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
PubChem CID56586435
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)NCCCNc1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-14-18(13-15-12-16(21)8-9-19(15)24-14)20(25)23-11-5-10-22-17-6-3-2-4-7-17/h2-4,6-9,12-13,22H,5,10-11H2,1H3,(H,23,25)
InChIKeyONBJGMUSPFHKJP-UHFFFAOYSA-N
XLogP4.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-2-methylquinoline-3-carboxamide
CID 41377444
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide
CID 56586514
N-hexyl-2-methylquinoline-3-carboxamide
CID 110489615
6-chloro-2-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 55522789
6-chloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 55724271
N-(3-benzylsulfonylpropyl)-2,6-dimethylquinoline-3-carboxamide
CID 55841810
ethyl N-[(6-chloro-2-methylquinoline-3-carbonyl)amino]carbamate
CID 36943257
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879
6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
CID 46513513
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide (CID 56586435) is N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCNc1ccccc1.
What is the InChIKey of N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide?
The InChIKey is ONBJGMUSPFHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-18(13-15-12-16(21)8-9-19(15)24-14)20(25)23-11-5-10-22-17-6-3-2-4-7-17/h2-4,6-9,12-13,22H,5,10-11H2,1H3,(H,23,25).
What are the key properties of N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide?
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 56586435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).