4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide

C13H15N3O2 — CID 113319901

IUPAC4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
SMILESCC(O)CNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-8(17)7-15-13(18)12-6-10(14)9-4-2-3-5-11(9)16-12/h2-6,8,17H,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyLDFAFVPFVKCUEJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.93
Rot. Bonds3

About 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide

4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide (PubChem CID 113319901) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
PubChem CID113319901
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
SMILESCC(O)CNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-8(17)7-15-13(18)12-6-10(14)9-4-2-3-5-11(9)16-12/h2-6,8,17H,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyLDFAFVPFVKCUEJ-UHFFFAOYSA-N
XLogP0.93
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2-hydroxypropyl)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

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
CID 115485639
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
CID 115751987
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
4-amino-N-(furan-3-ylmethyl)quinoline-2-carboxamide
CID 115751963

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide (CID 113319901) is 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide is CC(O)CNC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide?
The InChIKey is LDFAFVPFVKCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(17)7-15-13(18)12-6-10(14)9-4-2-3-5-11(9)16-12/h2-6,8,17H,7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide?
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide is sourced from PubChem (CID 113319901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).