3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one

C14H18N2O — CID 23009284

IUPAC3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
SMILESCCNCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-4-15-8-12-7-11-5-9(2)10(3)6-13(11)16-14(12)17/h5-7,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyYCWZQLKOEDQIGW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds3

About 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one

3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 23009284) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
PubChem CID23009284
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
SMILESCCNCc1cc2cc(C)c(C)cc2[nH]c1=O
InChIInChI=1S/C14H18N2O/c1-4-15-8-12-7-11-5-9(2)10(3)6-13(11)16-14(12)17/h5-7,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyYCWZQLKOEDQIGW-UHFFFAOYSA-N
XLogP2.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
1-[2-(dimethylamino)ethyl]-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
CID 3172564
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 84510401
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608956
3-[(benzylamino)methyl]-7-chloro-6-methyl-1H-quinolin-2-one
CID 18524471
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N,N-diethylpropanamide
CID 110331658
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110608950
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110324991
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-propan-2-ylpropanamide
CID 110331604

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one (CID 23009284) is 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one is CCNCc1cc2cc(C)c(C)cc2[nH]c1=O.
What is the InChIKey of 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is YCWZQLKOEDQIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-15-8-12-7-11-5-9(2)10(3)6-13(11)16-14(12)17/h5-7,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one?
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 23009284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).