2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide

C15H18N4O2 — CID 106280040

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(N)nc2ccccc12)C(N)=O
InChIInChI=1S/C15H18N4O2/c1-15(2,14(17)21)8-18-13(20)10-7-12(16)19-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H2,16,19)(H2,17,21)(H,18,20)
InChIKeySOVFKKHUVNWELB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide (PubChem CID 106280040) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
PubChem CID106280040
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide
SMILESCC(C)(CNC(=O)c1cc(N)nc2ccccc12)C(N)=O
InChIInChI=1S/C15H18N4O2/c1-15(2,14(17)21)8-18-13(20)10-7-12(16)19-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H2,16,19)(H2,17,21)(H,18,20)
InChIKeySOVFKKHUVNWELB-UHFFFAOYSA-N
XLogP1.06
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
CID 115522077
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
2-amino-N-methyl-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 63961651

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide (CID 106280040) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide is CC(C)(CNC(=O)c1cc(N)nc2ccccc12)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide?
The InChIKey is SOVFKKHUVNWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,14(17)21)8-18-13(20)10-7-12(16)19-11-6-4-3-5-9(10)11/h3-7H,8H2,1-2H3,(H2,16,19)(H2,17,21)(H,18,20).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)quinoline-4-carboxamide is sourced from PubChem (CID 106280040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).