3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one

C19H26N2O3 — CID 95197102

IUPAC3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CCCCO1
InChIInChI=1S/C19H26N2O3/c1-3-21(13-17-6-4-5-9-24-17)12-15-10-14-7-8-16(23-2)11-18(14)20-19(15)22/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyHGPSSPWKFRJRIJ-KRWDZBQOSA-N
MW330.43 g/mol
LogP2.93
Rot. Bonds6

About 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one

3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 95197102) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID95197102
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CCCCO1
InChIInChI=1S/C19H26N2O3/c1-3-21(13-17-6-4-5-9-24-17)12-15-10-14-7-8-16(23-2)11-18(14)20-19(15)22/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyHGPSSPWKFRJRIJ-KRWDZBQOSA-N
XLogP2.93
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[3-(diethylamino)propyl]-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 40593299
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(oxolan-2-ylmethyl)thiourea
CID 3172217
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 1137598
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1373419
2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3194117
3-(2-methoxyethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7108635
3-(2-methoxyethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 7108638
ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171565
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1137590
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110609197
2-chloro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1164813
3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 3172332

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one (CID 95197102) is 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one is CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)C[C@@H]1CCCCO1.
What is the InChIKey of 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is HGPSSPWKFRJRIJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-21(13-17-6-4-5-9-24-17)12-15-10-14-7-8-16(23-2)11-18(14)20-19(15)22/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 95197102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).