3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide

C17H20N2O2 — CID 110331606

IUPAC3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-4-7-18-16(20)6-5-13-10-14-8-11(2)12(3)9-15(14)19-17(13)21/h4,8-10H,1,5-7H2,2-3H3,(H,18,20)(H,19,21)
InChIKeyJHEGXHWIKVVABS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.38
Rot. Bonds5

About 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide

3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide (PubChem CID 110331606) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
PubChem CID110331606
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-4-7-18-16(20)6-5-13-10-14-8-11(2)12(3)9-15(14)19-17(13)21/h4,8-10H,1,5-7H2,2-3H3,(H,18,20)(H,19,21)
InChIKeyJHEGXHWIKVVABS-UHFFFAOYSA-N
XLogP2.38
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N,N-diethylpropanamide
CID 110331658
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide (CID 110331606) is 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide?
The InChIKey is JHEGXHWIKVVABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-7-18-16(20)6-5-13-10-14-8-11(2)12(3)9-15(14)19-17(13)21/h4,8-10H,1,5-7H2,2-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide?
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 110331606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).