N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide

C18H24N2O2 — CID 110325145

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-5-13(6-2)17(21)19-10-15-9-14-8-7-11(3)12(4)16(14)20-18(15)22/h7-9,13H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYNDIJRGHPIPSSK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.20
Rot. Bonds5

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide (PubChem CID 110325145) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
PubChem CID110325145
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-5-13(6-2)17(21)19-10-15-9-14-8-7-11(3)12(4)16(14)20-18(15)22/h7-9,13H,5-6,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYNDIJRGHPIPSSK-UHFFFAOYSA-N
XLogP3.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide
CID 110324991
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-carboxamide
CID 12006147
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
1-[2-(dimethylamino)ethyl]-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethylthiourea
CID 3172507
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326210
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide (CID 110325145) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
The InChIKey is YNDIJRGHPIPSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-13(6-2)17(21)19-10-15-9-14-8-7-11(3)12(4)16(14)20-18(15)22/h7-9,13H,5-6,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide has a molecular weight of 300.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 110325145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).