3-(quinolin-4-ylamino)butanamide

C13H15N3O — CID 115685011

IUPAC3-(quinolin-4-ylamino)butanamide
SMILESCC(CC(N)=O)Nc1ccnc2ccccc12
InChIInChI=1S/C13H15N3O/c1-9(8-13(14)17)16-12-6-7-15-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyAUDRPOLUNRVSTB-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds4

About 3-(quinolin-4-ylamino)butanamide

3-(quinolin-4-ylamino)butanamide (PubChem CID 115685011) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(quinolin-4-ylamino)butanamide.

Molecular Properties

Compound Name3-(quinolin-4-ylamino)butanamide
PubChem CID115685011
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(quinolin-4-ylamino)butanamide
SMILESCC(CC(N)=O)Nc1ccnc2ccccc12
InChIInChI=1S/C13H15N3O/c1-9(8-13(14)17)16-12-6-7-15-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyAUDRPOLUNRVSTB-UHFFFAOYSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(quinolin-4-ylamino)butanamide 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

3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-propyl-2-(quinolin-4-ylamino)propanamide
CID 61480226
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
N-pentan-3-ylquinolin-4-amine
CID 61340263
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 79267735
N-(1-cyclopropylethyl)quinolin-4-amine
CID 61340996
methyl 3-(cinnolin-4-ylamino)butanoate
CID 114283867
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
N-(1-chlorobutan-2-yl)quinolin-4-amine
CID 65030067

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylamino)butanamide?
The IUPAC name of 3-(quinolin-4-ylamino)butanamide (CID 115685011) is 3-(quinolin-4-ylamino)butanamide.
What is the SMILES notation for 3-(quinolin-4-ylamino)butanamide?
The canonical SMILES for 3-(quinolin-4-ylamino)butanamide is CC(CC(N)=O)Nc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylamino)butanamide?
The InChIKey is AUDRPOLUNRVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(8-13(14)17)16-12-6-7-15-11-5-3-2-4-10(11)12/h2-7,9H,8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-(quinolin-4-ylamino)butanamide?
3-(quinolin-4-ylamino)butanamide has a molecular weight of 229.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylamino)butanamide is sourced from PubChem (CID 115685011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).