2,2-dimethylquinoline-1-carboxamide

C12H14N2O — CID 140982982

IUPAC2,2-dimethylquinoline-1-carboxamide
SMILESCC1(C)C=Cc2ccccc2N1C(N)=O
InChIInChI=1S/C12H14N2O/c1-12(2)8-7-9-5-3-4-6-10(9)14(12)11(13)15/h3-8H,1-2H3,(H2,13,15)
InChIKeyLZTMOKMTJGNHCP-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds

About 2,2-dimethylquinoline-1-carboxamide

2,2-dimethylquinoline-1-carboxamide (PubChem CID 140982982) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,2-dimethylquinoline-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethylquinoline-1-carboxamide
PubChem CID140982982
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2,2-dimethylquinoline-1-carboxamide
SMILESCC1(C)C=Cc2ccccc2N1C(N)=O
InChIInChI=1S/C12H14N2O/c1-12(2)8-7-9-5-3-4-6-10(9)14(12)11(13)15/h3-8H,1-2H3,(H2,13,15)
InChIKeyLZTMOKMTJGNHCP-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Carbamazepine
CID 2554
4-Methylquinolin-2-ol
CID 69088
N-acetyl-o-toluidine
CID 8443
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
O-Ethylacetanilide
CID 36332
N-(4-Methylphenyl)urea
CID 12148
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
1,1-Diphenylurea
CID 33603
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
N-(3-Methylphenyl)urea
CID 6142
1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
CID 698299
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylquinoline-1-carboxamide?
The IUPAC name of 2,2-dimethylquinoline-1-carboxamide (CID 140982982) is 2,2-dimethylquinoline-1-carboxamide.
What is the SMILES notation for 2,2-dimethylquinoline-1-carboxamide?
The canonical SMILES for 2,2-dimethylquinoline-1-carboxamide is CC1(C)C=Cc2ccccc2N1C(N)=O.
What is the InChIKey of 2,2-dimethylquinoline-1-carboxamide?
The InChIKey is LZTMOKMTJGNHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2)8-7-9-5-3-4-6-10(9)14(12)11(13)15/h3-8H,1-2H3,(H2,13,15).
What are the key properties of 2,2-dimethylquinoline-1-carboxamide?
2,2-dimethylquinoline-1-carboxamide has a molecular weight of 202.26 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylquinoline-1-carboxamide is sourced from PubChem (CID 140982982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).