(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone

C18H20ClN3O — CID 119579132

IUPAC(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCN1
InChIInChI=1S/C18H20ClN3O/c1-11-10-22(7-6-20-11)18(23)15-9-17(12-2-3-12)21-16-5-4-13(19)8-14(15)16/h4-5,8-9,11-12,20H,2-3,6-7,10H2,1H3
InChIKeyHTSZTWXZLJJAKA-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.20
Rot. Bonds2

About (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone

(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119579132) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119579132
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCN1
InChIInChI=1S/C18H20ClN3O/c1-11-10-22(7-6-20-11)18(23)15-9-17(12-2-3-12)21-16-5-4-13(19)8-14(15)16/h4-5,8-9,11-12,20H,2-3,6-7,10H2,1H3
InChIKeyHTSZTWXZLJJAKA-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(3R)-1-(6-chloro-2-cyclopropylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129397510
(6-chloro-2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120572778
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-chloro-2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 120814660
[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 134817245
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(6-chloro-2-methylquinolin-4-yl)-piperazin-1-ylmethanone
CID 82449120
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362
(4-chloro-2-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427493
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone (CID 119579132) is (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc23)CCN1.
What is the InChIKey of (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is HTSZTWXZLJJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-11-10-22(7-6-20-11)18(23)15-9-17(12-2-3-12)21-16-5-4-13(19)8-14(15)16/h4-5,8-9,11-12,20H,2-3,6-7,10H2,1H3.
What are the key properties of (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone?
(6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 329.83 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-cyclopropylquinolin-4-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119579132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).