N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

C21H26ClN3O2 — CID 119525966

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-13(2)14-3-5-15(6-4-14)18(22)12-23-21(26)17-7-9-19-16(11-17)8-10-20(25)24-19;/h3-7,9,11,13,18H,8,10,12,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyWBTRGGMLIBCZGE-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.55
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (PubChem CID 119525966) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
PubChem CID119525966
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-13(2)14-3-5-15(6-4-14)18(22)12-23-21(26)17-7-9-19-16(11-17)8-10-20(25)24-19;/h3-7,9,11,13,18H,8,10,12,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyWBTRGGMLIBCZGE-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-amino-2-methylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 115271606
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51926834

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride (CID 119525966) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
The InChIKey is WBTRGGMLIBCZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-13(2)14-3-5-15(6-4-14)18(22)12-23-21(26)17-7-9-19-16(11-17)8-10-20(25)24-19;/h3-7,9,11,13,18H,8,10,12,22H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride is sourced from PubChem (CID 119525966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).