(7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C27H26N4O — CID 2220703

IUPAC(7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3cccnc3)nc2c1C
InChIInChI=1S/C27H26N4O/c1-19-10-11-23-24(17-25(29-26(23)20(19)2)21-7-6-12-28-18-21)27(32)31-15-13-30(14-16-31)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3
InChIKeyJCTUXAQXOAUKHI-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.88
Rot. Bonds3

About (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2220703) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2220703
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name(7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3cccnc3)nc2c1C
InChIInChI=1S/C27H26N4O/c1-19-10-11-23-24(17-25(29-26(23)20(19)2)21-7-6-12-28-18-21)27(32)31-15-13-30(14-16-31)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3
InChIKeyJCTUXAQXOAUKHI-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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Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 2220703) is (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3cccnc3)nc2c1C.
What is the InChIKey of (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JCTUXAQXOAUKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-19-10-11-23-24(17-25(29-26(23)20(19)2)21-7-6-12-28-18-21)27(32)31-15-13-30(14-16-31)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(7,8-dimethyl-2-pyridin-3-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 (7,8-dimethyl-2-pyridin-3-ylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2220703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).