(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone

C34H31N3O2 — CID 4273485

IUPAC(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C34H31N3O2/c1-39-28-18-16-25(17-19-28)32-24-30(29-14-8-9-15-31(29)35-32)34(38)37-22-20-36(21-23-37)33(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-19,24,33H,20-23H2,1H3
InChIKeyPXJICSFQLPYNAU-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.46
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone (PubChem CID 4273485) has the molecular formula C34H31N3O2 and a molecular weight of 513.64 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
PubChem CID4273485
Molecular FormulaC34H31N3O2
Molecular Weight513.64 g/mol
Exact Mass513.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C34H31N3O2/c1-39-28-18-16-25(17-19-28)32-24-30(29-14-8-9-15-31(29)35-32)34(38)37-22-20-36(21-23-37)33(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-19,24,33H,20-23H2,1H3
InChIKeyPXJICSFQLPYNAU-UHFFFAOYSA-N
XLogP6.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
(4-benzhydrylpiperazin-1-yl)-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
CID 1010741
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 4080449
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
[2-(4-methoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1011234
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone (CID 4273485) is (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
The InChIKey is PXJICSFQLPYNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O2/c1-39-28-18-16-25(17-19-28)32-24-30(29-14-8-9-15-31(29)35-32)34(38)37-22-20-36(21-23-37)33(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-19,24,33H,20-23H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone has a molecular weight of 513.64 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 4273485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).