1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride

C20H21ClN4O2 — CID 120731988

IUPAC1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
SMILESCl.Cn1c(=O)cc(C(=O)N2CCNCC2c2cccnc2)c2ccccc21
InChIInChI=1S/C20H20N4O2.ClH/c1-23-17-7-3-2-6-15(17)16(11-19(23)25)20(26)24-10-9-22-13-18(24)14-5-4-8-21-12-14;/h2-8,11-12,18,22H,9-10,13H2,1H3;1H
InChIKeyVMMZXHOXBABWAX-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.14
Rot. Bonds2

About 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride

1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride (PubChem CID 120731988) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
PubChem CID120731988
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
SMILESCl.Cn1c(=O)cc(C(=O)N2CCNCC2c2cccnc2)c2ccccc21
InChIInChI=1S/C20H20N4O2.ClH/c1-23-17-7-3-2-6-15(17)16(11-19(23)25)20(26)24-10-9-22-13-18(24)14-5-4-8-21-12-14;/h2-8,11-12,18,22H,9-10,13H2,1H3;1H
InChIKeyVMMZXHOXBABWAX-UHFFFAOYSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one;hydrochloride
CID 120729468
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one
CID 56916686
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120728924
1-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]cinnolin-4-one;hydrochloride
CID 120730643
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride?
The IUPAC name of 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride (CID 120731988) is 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride is Cl.Cn1c(=O)cc(C(=O)N2CCNCC2c2cccnc2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride?
The InChIKey is VMMZXHOXBABWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.ClH/c1-23-17-7-3-2-6-15(17)16(11-19(23)25)20(26)24-10-9-22-13-18(24)14-5-4-8-21-12-14;/h2-8,11-12,18,22H,9-10,13H2,1H3;1H.
What are the key properties of 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride?
1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride has a molecular weight of 384.87 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride is sourced from PubChem (CID 120731988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).