N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C18H24N2O2 — CID 2022966

IUPACN-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)CC
InChIInChI=1S/C18H24N2O2/c1-4-6-10-20(16(21)5-2)12-15-11-14-9-7-8-13(3)17(14)19-18(15)22/h7-9,11H,4-6,10,12H2,1-3H3,(H,19,22)
InChIKeyPQIPBBOQQOETMN-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.38
Rot. Bonds6

About N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 2022966) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID2022966
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)CC
InChIInChI=1S/C18H24N2O2/c1-4-6-10-20(16(21)5-2)12-15-11-14-9-7-8-13(3)17(14)19-18(15)22/h7-9,11H,4-6,10,12H2,1-3H3,(H,19,22)
InChIKeyPQIPBBOQQOETMN-UHFFFAOYSA-N
XLogP3.38
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 1383260
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 855659
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1453861
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
2-methoxy-N-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1425529
N-tert-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 941828
1-[2-(dimethylamino)ethyl]-3-[3-(dimethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3172503
N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 3193868
1-[2-(diethylamino)ethyl]-3-(4-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3194358

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 2022966) is N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)CC.
What is the InChIKey of N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is PQIPBBOQQOETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-6-10-20(16(21)5-2)12-15-11-14-9-7-8-13(3)17(14)19-18(15)22/h7-9,11H,4-6,10,12H2,1-3H3,(H,19,22).
What are the key properties of N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 300.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 2022966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).