N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide

C16H19N3O — CID 100627820

IUPACN-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O/c1-11(2)19-9-13(10-19)17-16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,20)
InChIKeyGWCWCVALPCNHBW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.06
Rot. Bonds3

About N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide

N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide (PubChem CID 100627820) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
PubChem CID100627820
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide
SMILESCC(C)N1CC(NC(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C16H19N3O/c1-11(2)19-9-13(10-19)17-16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,20)
InChIKeyGWCWCVALPCNHBW-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-oxocyclobutyl)quinoline-2-carboxamide
CID 141469344
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[3-[2-tri(propan-2-yl)silylethynyl]cyclohexyl]quinoline-2-carboxamide
CID 155618819
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
3-[4-(quinoline-2-carbonylamino)cyclohexylidene]propanoic acid
CID 174670110
N-(4-methylpyrazolidin-3-yl)quinoline-2-carboxamide
CID 134068357
N-[(2R)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 94820201
2-(quinoline-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814765
N-(2-aminocyclopentyl)quinoline-2-carboxamide
CID 63251270
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide (CID 100627820) is N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide is CC(C)N1CC(NC(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
The InChIKey is GWCWCVALPCNHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)19-9-13(10-19)17-16(20)15-8-7-12-5-3-4-6-14(12)18-15/h3-8,11,13H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide?
N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylazetidin-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 100627820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).