N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

C16H21ClN4O3 — CID 119630571

IUPACN-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-16(2,17)9-20-13(21)8-19-15(23)11-7-18-12-6-4-3-5-10(12)14(11)22;/h3-7H,8-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21);1H
InChIKeySPGHKAOURQOIOD-UHFFFAOYSA-N
MW352.82 g/mol
LogP0.53
Rot. Bonds5

About N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride

N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 119630571) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID119630571
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC NameN-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-16(2,17)9-20-13(21)8-19-15(23)11-7-18-12-6-4-3-5-10(12)14(11)22;/h3-7H,8-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21);1H
InChIKeySPGHKAOURQOIOD-UHFFFAOYSA-N
XLogP0.53
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
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CID 55976567
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
N-(2-hydroxy-2,5-dimethylhexyl)-4-oxo-1H-quinoline-3-carboxamide
CID 111485393
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 119630571) is N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O.Cl.
What is the InChIKey of N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is SPGHKAOURQOIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c1-16(2,17)9-20-13(21)8-19-15(23)11-7-18-12-6-4-3-5-10(12)14(11)22;/h3-7H,8-9,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21);1H.
What are the key properties of N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride?
N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 119630571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).