4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide

C14H16N4O2 — CID 115751990

IUPAC4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H16N4O2/c1-8(6-13(16)19)17-14(20)12-7-10(15)9-4-2-3-5-11(9)18-12/h2-5,7-8H,6H2,1H3,(H2,15,18)(H2,16,19)(H,17,20)
InChIKeySENQTUZYLVPHKK-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.81
Rot. Bonds4

About 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide

4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide (PubChem CID 115751990) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
PubChem CID115751990
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H16N4O2/c1-8(6-13(16)19)17-14(20)12-7-10(15)9-4-2-3-5-11(9)18-12/h2-5,7-8H,6H2,1H3,(H2,15,18)(H2,16,19)(H,17,20)
InChIKeySENQTUZYLVPHKK-UHFFFAOYSA-N
XLogP0.81
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63375215
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CID 82945143
4-amino-N-(4-methylsulfanylbutan-2-yl)quinoline-2-carboxamide
CID 115751987
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
N-butan-2-yl-4-(ethylamino)quinoline-2-carboxamide
CID 63377555
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-2-carboxamide
CID 115869084

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide (CID 115751990) is 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide is CC(CC(N)=O)NC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide?
The InChIKey is SENQTUZYLVPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(6-13(16)19)17-14(20)12-7-10(15)9-4-2-3-5-11(9)18-12/h2-5,7-8H,6H2,1H3,(H2,15,18)(H2,16,19)(H,17,20).
What are the key properties of 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide?
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 115751990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).