(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C27H26N4O — CID 1257141

IUPAC(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C27H26N4O/c1-19-16-20(2)26-22(17-19)23(18-25(29-26)24-10-6-7-11-28-24)27(32)31-14-12-30(13-15-31)21-8-4-3-5-9-21/h3-11,16-18H,12-15H2,1-2H3
InChIKeyLJRFDPOARKDAHG-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.88
Rot. Bonds3

About (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1257141) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1257141
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C27H26N4O/c1-19-16-20(2)26-22(17-19)23(18-25(29-26)24-10-6-7-11-28-24)27(32)31-14-12-30(13-15-31)21-8-4-3-5-9-21/h3-11,16-18H,12-15H2,1-2H3
InChIKeyLJRFDPOARKDAHG-UHFFFAOYSA-N
XLogP4.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8-chloro-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17371778
6-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 4261333
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 17126635
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141
6,8-dimethyl-N-prop-2-enyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220543
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723

Frequently Asked Questions

What is the IUPAC name of (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1257141) is (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is LJRFDPOARKDAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-19-16-20(2)26-22(17-19)23(18-25(29-26)24-10-6-7-11-28-24)27(32)31-14-12-30(13-15-31)21-8-4-3-5-9-21/h3-11,16-18H,12-15H2,1-2H3.
What are the key properties of (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1257141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).