5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one

C19H20N2O2 — CID 70410415

IUPAC5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one
SMILESCOc1ccc(CCNCc2ccccc2)c2ccc(=O)[nH]c12
InChIInChI=1S/C19H20N2O2/c1-23-17-9-7-15(16-8-10-18(22)21-19(16)17)11-12-20-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,21,22)
InChIKeyLNIRANWPNRDHQD-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds6

About 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one

5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one (PubChem CID 70410415) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one
PubChem CID70410415
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one
SMILESCOc1ccc(CCNCc2ccccc2)c2ccc(=O)[nH]c12
InChIInChI=1S/C19H20N2O2/c1-23-17-9-7-15(16-8-10-18(22)21-19(16)17)11-12-20-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,21,22)
InChIKeyLNIRANWPNRDHQD-UHFFFAOYSA-N
XLogP2.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-5-[2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 70411248
2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid
CID 13342139
8-phosphanyloxy-5-propyl-1H-quinolin-2-one
CID 137382623
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
N-benzyl-2-(2,3-diethoxyphenyl)ethanamine
CID 69362422
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
5-[(2R)-1-[2-(4-methylphenyl)ethylamino]propan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 143017414
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methylphenyl)thiourea
CID 7137023
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
N-[(2R)-butan-2-yl]-N-[2-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethylamino]ethyl]-3-(2-phenylethoxy)propanamide;hydrochloride
CID 68708562

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one?
The IUPAC name of 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one (CID 70410415) is 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one?
The canonical SMILES for 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one is COc1ccc(CCNCc2ccccc2)c2ccc(=O)[nH]c12.
What is the InChIKey of 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one?
The InChIKey is LNIRANWPNRDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-17-9-7-15(16-8-10-18(22)21-19(16)17)11-12-20-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,21,22).
What are the key properties of 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one?
5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)ethyl]-8-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 70410415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).