7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one

C20H21FN4O3 — CID 126453720

About 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one

7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 126453720) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
• PubChem CID: 126453720
• Molecular Formula: C20H21FN4O3
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.16
• IUPAC Name: 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
• SMILES: Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1
• InChI: InChI=1S/C20H21FN4O3/c1-24-9-6-22-19(24)18(27)12-4-7-25(8-5-12)20(28)15-11-17(26)23-16-10-13(21)2-3-14(15)16/h2-3,6,9-12,18,27H,4-5,7-8H2,1H3,(H,23,26)/t18-/m0/s1
• InChIKey: KCVBTEMUICWQRY-SFHVURJKSA-N
• XLogP: 1.99
• TPSA: 91.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one?

The IUPAC name of 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one (CID 126453720) is 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one.

What is the SMILES notation for 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one?

The canonical SMILES for 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one is Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1.

What is the InChIKey of 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one?

The InChIKey is KCVBTEMUICWQRY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-24-9-6-22-19(24)18(27)12-4-7-25(8-5-12)20(28)15-11-17(26)23-16-10-13(21)2-3-14(15)16/h2-3,6,9-12,18,27H,4-5,7-8H2,1H3,(H,23,26)/t18-/m0/s1.

What are the key properties of 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one?

7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 384.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 126453720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).