(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C15H22N2O2 — CID 99781975

IUPAC(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](CCCO)NC[C@@H]1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-11(5-4-8-18)16-10-12-9-15(19)17-14-7-3-2-6-13(12)14/h2-3,6-7,11-12,16,18H,4-5,8-10H2,1H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyKRAWQBJRRHMAOF-RYUDHWBXSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds6

About (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 99781975) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID99781975
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](CCCO)NC[C@@H]1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-11(5-4-8-18)16-10-12-9-15(19)17-14-7-3-2-6-13(12)14/h2-3,6-7,11-12,16,18H,4-5,8-10H2,1H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyKRAWQBJRRHMAOF-RYUDHWBXSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 99781975) is (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is C[C@@H](CCCO)NC[C@@H]1CC(=O)Nc2ccccc21.
What is the InChIKey of (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KRAWQBJRRHMAOF-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(5-4-8-18)16-10-12-9-15(19)17-14-7-3-2-6-13(12)14/h2-3,6-7,11-12,16,18H,4-5,8-10H2,1H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[[(2S)-5-hydroxypentan-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 99781975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).