N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide

C17H22N2O3 — CID 907840

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C)C(=O)CC(C)C)cc2c1
InChIInChI=1S/C17H22N2O3/c1-11(2)7-16(20)19(3)10-13-8-12-9-14(22-4)5-6-15(12)18-17(13)21/h5-6,8-9,11H,7,10H2,1-4H3,(H,18,21)
InChIKeyVMAFVAOFKBJQFV-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.54
Rot. Bonds5

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 907840) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
PubChem CID907840
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
SMILESCOc1ccc2[nH]c(=O)c(CN(C)C(=O)CC(C)C)cc2c1
InChIInChI=1S/C17H22N2O3/c1-11(2)7-16(20)19(3)10-13-8-12-9-14(22-4)5-6-15(12)18-17(13)21/h5-6,8-9,11H,7,10H2,1-4H3,(H,18,21)
InChIKeyVMAFVAOFKBJQFV-UHFFFAOYSA-N
XLogP2.54
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 665282
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1427706
3-chloro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1242780
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
CID 665368
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylacetamide
CID 664406
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)thiourea
CID 1141266
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-3-nitrobenzamide
CID 1422756
1-(3-hydroxypropyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 3172289

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide (CID 907840) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide is COc1ccc2[nH]c(=O)c(CN(C)C(=O)CC(C)C)cc2c1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is VMAFVAOFKBJQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)7-16(20)19(3)10-13-8-12-9-14(22-4)5-6-15(12)18-17(13)21/h5-6,8-9,11H,7,10H2,1-4H3,(H,18,21).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 302.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 907840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).