[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C30H25N5O — CID 2382262

IUPAC[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C30H25N5O/c36-29(34-17-19-35(20-18-34)30-31-15-6-16-32-30)26-21-28(33-27-10-5-4-9-25(26)27)24-13-11-23(12-14-24)22-7-2-1-3-8-22/h1-16,21H,17-20H2
InChIKeyUUPKHMATARQRQR-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.32
Rot. Bonds4

About [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2382262) has the molecular formula C30H25N5O and a molecular weight of 471.56 g/mol. Its IUPAC name is [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2382262
Molecular FormulaC30H25N5O
Molecular Weight471.56 g/mol
Exact Mass471.21
IUPAC Name[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C30H25N5O/c36-29(34-17-19-35(20-18-34)30-31-15-6-16-32-30)26-21-28(33-27-10-5-4-9-25(26)27)24-13-11-23(12-14-24)22-7-2-1-3-8-22/h1-16,21H,17-20H2
InChIKeyUUPKHMATARQRQR-UHFFFAOYSA-N
XLogP5.32
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

N-[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375275
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914

Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2382262) is [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UUPKHMATARQRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O/c36-29(34-17-19-35(20-18-34)30-31-15-6-16-32-30)26-21-28(33-27-10-5-4-9-25(26)27)24-13-11-23(12-14-24)22-7-2-1-3-8-22/h1-16,21H,17-20H2.
What are the key properties of [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 471.56 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2382262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).