6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide

C17H19ClN2O2 — CID 109468393

IUPAC6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H19ClN2O2/c1-2-20(7-8-21)17(22)14-10-16(11-3-4-11)19-15-6-5-12(18)9-13(14)15/h5-6,9-11,21H,2-4,7-8H2,1H3
InChIKeyMVNMNHXSTIADEE-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.22
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide

6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide (PubChem CID 109468393) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide
PubChem CID109468393
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H19ClN2O2/c1-2-20(7-8-21)17(22)14-10-16(11-3-4-11)19-15-6-5-12(18)9-13(14)15/h5-6,9-11,21H,2-4,7-8H2,1H3
InChIKeyMVNMNHXSTIADEE-UHFFFAOYSA-N
XLogP3.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520185
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 119659842
6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
CID 119507689
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516515
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide (CID 109468393) is 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide is CCN(CCO)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide?
The InChIKey is MVNMNHXSTIADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-20(7-8-21)17(22)14-10-16(11-3-4-11)19-15-6-5-12(18)9-13(14)15/h5-6,9-11,21H,2-4,7-8H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide?
6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 109468393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).