6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide

C17H20ClN3O — CID 119507689

IUPAC6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
SMILESCCNCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H20ClN3O/c1-2-19-7-8-20-17(22)14-10-16(11-3-4-11)21-15-6-5-12(18)9-13(14)15/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyLFQUFWZZINZGAS-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.10
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide

6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide (PubChem CID 119507689) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
PubChem CID119507689
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
SMILESCCNCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H20ClN3O/c1-2-19-7-8-20-17(22)14-10-16(11-3-4-11)21-15-6-5-12(18)9-13(14)15/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,20,22)
InChIKeyLFQUFWZZINZGAS-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.10
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

N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 109468393
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520185
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119504737
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide (CID 119507689) is 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide is CCNCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is LFQUFWZZINZGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-2-19-7-8-20-17(22)14-10-16(11-3-4-11)21-15-6-5-12(18)9-13(14)15/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,20,22).
What are the key properties of 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide?
6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 119507689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).