(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C27H25N3O3 — CID 125021051

IUPAC(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c2ccccc2N1
InChIInChI=1S/C27H25N3O3/c31-25-17-22(21-11-4-5-12-23(21)29-25)27(33)30-14-13-28-26(32)24(30)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15,22,24H,13-14,16-17H2,(H,28,32)(H,29,31)/t22-,24-/m1/s1
InChIKeyYHBUANWGKGDJOR-ISKFKSNPSA-N
MW439.51 g/mol
LogP3.35
Rot. Bonds4

About (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 125021051) has the molecular formula C27H25N3O3 and a molecular weight of 439.51 g/mol. Its IUPAC name is (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID125021051
Molecular FormulaC27H25N3O3
Molecular Weight439.51 g/mol
Exact Mass439.19
IUPAC Name(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c2ccccc2N1
InChIInChI=1S/C27H25N3O3/c31-25-17-22(21-11-4-5-12-23(21)29-25)27(33)30-14-13-28-26(32)24(30)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15,22,24H,13-14,16-17H2,(H,28,32)(H,29,31)/t22-,24-/m1/s1
InChIKeyYHBUANWGKGDJOR-ISKFKSNPSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 125021051) is (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c2ccccc2N1.
What is the InChIKey of (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YHBUANWGKGDJOR-ISKFKSNPSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25-17-22(21-11-4-5-12-23(21)29-25)27(33)30-14-13-28-26(32)24(30)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-12,15,22,24H,13-14,16-17H2,(H,28,32)(H,29,31)/t22-,24-/m1/s1.
What are the key properties of (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 439.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-3-oxo-2-[(3-phenylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 125021051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).