2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride

C25H22ClN3O3 — CID 19837170

IUPAC2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
SMILESCl.O=C(c1c(-c2ccccc2)oc2ccccc2c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H21N3O3.ClH/c29-23-19-10-4-5-11-20(19)31-24(18-8-2-1-3-9-18)22(23)25(30)28-16-14-27(15-17-28)21-12-6-7-13-26-21;/h1-13H,14-17H2;1H
InChIKeyJPQAWUZYLNGVRD-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.24
Rot. Bonds3

About 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride

2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride (PubChem CID 19837170) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
PubChem CID19837170
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Name2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
SMILESCl.O=C(c1c(-c2ccccc2)oc2ccccc2c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H21N3O3.ClH/c29-23-19-10-4-5-11-20(19)31-24(18-8-2-1-3-9-18)22(23)25(30)28-16-14-27(15-17-28)21-12-6-7-13-26-21;/h1-13H,14-17H2;1H
InChIKeyJPQAWUZYLNGVRD-UHFFFAOYSA-N
XLogP4.24
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914
1-benzothiophen-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 2933523
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528
(4-phenylpiperazin-1-yl)-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174293
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18293107
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
(5-phenyl-2-pyridinyl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 167843840
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
The IUPAC name of 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride (CID 19837170) is 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
The canonical SMILES for 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride is Cl.O=C(c1c(-c2ccccc2)oc2ccccc2c1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
The InChIKey is JPQAWUZYLNGVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3.ClH/c29-23-19-10-4-5-11-20(19)31-24(18-8-2-1-3-9-18)22(23)25(30)28-16-14-27(15-17-28)21-12-6-7-13-26-21;/h1-13H,14-17H2;1H.
What are the key properties of 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride?
2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride has a molecular weight of 447.92 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-4-one;hydrochloride is sourced from PubChem (CID 19837170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).