N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide

C15H16ClN3O — CID 119384244

IUPACN-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
SMILESNCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H16ClN3O/c16-10-3-4-13-11(7-10)12(15(20)18-6-5-17)8-14(19-13)9-1-2-9/h3-4,7-9H,1-2,5-6,17H2,(H,18,20)
InChIKeyKPLKBEUSUBTAFV-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.45
Rot. Bonds4

About N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide

N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide (PubChem CID 119384244) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
PubChem CID119384244
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
SMILESNCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H16ClN3O/c16-10-3-4-13-11(7-10)12(15(20)18-6-5-17)8-14(19-13)9-1-2-9/h3-4,7-9H,1-2,5-6,17H2,(H,18,20)
InChIKeyKPLKBEUSUBTAFV-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
CID 119507689
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
(2-amino-2-oxoethyl) 6-chloro-2-cyclopropylquinoline-4-carboxylate
CID 71923208
3-[(6-chloro-2-cyclopropylquinoline-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120520185
6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 109468393
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
N-(3-amino-4-methylpentyl)-6-chloro-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 119659842
6-bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide (CID 119384244) is N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide is NCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide?
The InChIKey is KPLKBEUSUBTAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-10-3-4-13-11(7-10)12(15(20)18-6-5-17)8-14(19-13)9-1-2-9/h3-4,7-9H,1-2,5-6,17H2,(H,18,20).
What are the key properties of N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide?
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 119384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).