N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide

C15H18N2O2 — CID 176548686

IUPACN,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
SMILESCNC(=O)c1c(C)c(=O)c2ccccc2n1C(C)C
InChIInChI=1S/C15H18N2O2/c1-9(2)17-12-8-6-5-7-11(12)14(18)10(3)13(17)15(19)16-4/h5-9H,1-4H3,(H,16,19)
InChIKeyUXQQVTOZIKEQTI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.25
Rot. Bonds2

About N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide

N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide (PubChem CID 176548686) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
PubChem CID176548686
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
SMILESCNC(=O)c1c(C)c(=O)c2ccccc2n1C(C)C
InChIInChI=1S/C15H18N2O2/c1-9(2)17-12-8-6-5-7-11(12)14(18)10(3)13(17)15(19)16-4/h5-9H,1-4H3,(H,16,19)
InChIKeyUXQQVTOZIKEQTI-UHFFFAOYSA-N
XLogP2.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
2-amino-1-(3-methyl-1-propan-2-ylindol-2-yl)ethanone
CID 83860125
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one
CID 164522218
3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one
CID 176685707
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
CID 113204328
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
CID 70002976
N-methyl-2-(3-methyl-4-oxoquinolin-1-yl)acetamide
CID 156677240
3-amino-4-propan-2-ylfuro[3,2-b]quinolin-9-one
CID 149001224
3-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide (CID 176548686) is N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide is CNC(=O)c1c(C)c(=O)c2ccccc2n1C(C)C.
What is the InChIKey of N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
The InChIKey is UXQQVTOZIKEQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)17-12-8-6-5-7-11(12)14(18)10(3)13(17)15(19)16-4/h5-9H,1-4H3,(H,16,19).
What are the key properties of N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide?
N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 176548686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).