(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C27H26FN3O2 — CID 124993796

IUPAC(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)n1
InChIInChI=1S/C27H26FN3O2/c1-17-13-20(18-8-10-21(28)11-9-18)14-25(29-17)19-5-4-12-31(16-19)27(33)23-15-26(32)30-24-7-3-2-6-22(23)24/h2-3,6-11,13-14,19,23H,4-5,12,15-16H2,1H3,(H,30,32)/t19-,23-/m0/s1
InChIKeyQAHWDNBPMOAHQT-CVDCTZTESA-N
MW443.52 g/mol
LogP5.03
Rot. Bonds3

About (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 124993796) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID124993796
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)n1
InChIInChI=1S/C27H26FN3O2/c1-17-13-20(18-8-10-21(28)11-9-18)14-25(29-17)19-5-4-12-31(16-19)27(33)23-15-26(32)30-24-7-3-2-6-22(23)24/h2-3,6-11,13-14,19,23H,4-5,12,15-16H2,1H3,(H,30,32)/t19-,23-/m0/s1
InChIKeyQAHWDNBPMOAHQT-CVDCTZTESA-N
XLogP5.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 124993796) is (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)n1.
What is the InChIKey of (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QAHWDNBPMOAHQT-CVDCTZTESA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-17-13-20(18-8-10-21(28)11-9-18)14-25(29-17)19-5-4-12-31(16-19)27(33)23-15-26(32)30-24-7-3-2-6-22(23)24/h2-3,6-11,13-14,19,23H,4-5,12,15-16H2,1H3,(H,30,32)/t19-,23-/m0/s1.
What are the key properties of (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 443.52 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 124993796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).