2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide

C14H18N4O — CID 103962888

IUPAC2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C14H18N4O/c1-9(2)18-13(19)8-17-14-10-5-3-4-6-12(10)16-7-11(14)15/h3-7,9H,8,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBEKUVGPYBHLKIC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.75
Rot. Bonds4

About 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide

2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 103962888) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID103962888
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C14H18N4O/c1-9(2)18-13(19)8-17-14-10-5-3-4-6-12(10)16-7-11(14)15/h3-7,9H,8,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBEKUVGPYBHLKIC-UHFFFAOYSA-N
XLogP1.75
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
2-[(2-methyl-3-propan-2-ylquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 75452820
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
tert-butyl 2-amino-5-[(3-aminoquinolin-4-yl)amino]pentanoate
CID 171035159
tert-butyl N-[3-[(3-aminoquinolin-4-yl)amino]propyl]carbamate
CID 66958404
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide (CID 103962888) is 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1c(N)cnc2ccccc12.
What is the InChIKey of 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is BEKUVGPYBHLKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(2)18-13(19)8-17-14-10-5-3-4-6-12(10)16-7-11(14)15/h3-7,9H,8,15H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103962888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).