N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide

C19H18ClN3O — CID 56586514

IUPACN-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide
SMILESO=C(NCCCNc1ccccc1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C19H18ClN3O/c20-18-10-8-14-13-15(7-9-17(14)23-18)19(24)22-12-4-11-21-16-5-2-1-3-6-16/h1-3,5-10,13,21H,4,11-12H2,(H,22,24)
InChIKeySSGHWXXNPMLVDY-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.12
Rot. Bonds6

About N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide

N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide (PubChem CID 56586514) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide
PubChem CID56586514
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide
SMILESO=C(NCCCNc1ccccc1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C19H18ClN3O/c20-18-10-8-14-13-15(7-9-17(14)23-18)19(24)22-12-4-11-21-16-5-2-1-3-6-16/h1-3,5-10,13,21H,4,11-12H2,(H,22,24)
InChIKeySSGHWXXNPMLVDY-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090
2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
CID 55730969
N-(3-anilinopropyl)-6-chloro-2-methylquinoline-3-carboxamide
CID 56586435
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
2-chloro-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]quinoline-6-carboxamide
CID 55821602
N-(2-anilinoethyl)-6-chlorobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 70997547
2-chloro-N-(3-methylsulfanylphenyl)quinoline-6-carboxamide
CID 55731147
N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride
CID 45261359
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide (CID 56586514) is N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide is O=C(NCCCNc1ccccc1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide?
The InChIKey is SSGHWXXNPMLVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-18-10-8-14-13-15(7-9-17(14)23-18)19(24)22-12-4-11-21-16-5-2-1-3-6-16/h1-3,5-10,13,21H,4,11-12H2,(H,22,24).
What are the key properties of N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide?
N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-chloroquinoline-6-carboxamide is sourced from PubChem (CID 56586514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).