N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride

C27H28ClN3O — CID 162308221

IUPACN-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CCCCc3ccccc3)ccc2n1.Cl
InChIInChI=1S/C27H27N3O.ClH/c1-19-17-25(28)24-18-22(15-16-26(24)29-19)30-27(31)23-14-8-7-13-21(23)12-6-5-11-20-9-3-2-4-10-20;/h2-4,7-10,13-18H,5-6,11-12H2,1H3,(H2,28,29)(H,30,31);1H
InChIKeyJEHLGUOUTXWKOH-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.36
Rot. Bonds7

About N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride

N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride (PubChem CID 162308221) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
PubChem CID162308221
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC NameN-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride
SMILESCc1cc(N)c2cc(NC(=O)c3ccccc3CCCCc3ccccc3)ccc2n1.Cl
InChIInChI=1S/C27H27N3O.ClH/c1-19-17-25(28)24-18-22(15-16-26(24)29-19)30-27(31)23-14-8-7-13-21(23)12-6-5-11-20-9-3-2-4-10-20;/h2-4,7-10,13-18H,5-6,11-12H2,1H3,(H2,28,29)(H,30,31);1H
InChIKeyJEHLGUOUTXWKOH-UHFFFAOYSA-N
XLogP6.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylquinolin-6-yl)-2-benzylbenzamide
CID 10546941
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chloroanilino)methyl]benzamide;dihydrochloride
CID 160523492
4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]benzoic acid;hydrochloride
CID 69240476
[4-[[2-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methoxy]phenyl]methyl acetate;hydrochloride
CID 22397041
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-methoxyphenoxy)methyl]benzamide
CID 22083450
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-fluorophenoxy)methyl]benzamide;hydrochloride
CID 22397066
N-(4-amino-2-methylquinolin-6-yl)-2-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 22083465
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide;hydrochloride
CID 22397059
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-chloro-4-ethylphenoxy)methyl]benzamide;hydrochloride
CID 22397054
N-(4-amino-2-methylquinolin-6-yl)-2-[(2-nitrophenoxy)methyl]benzamide
CID 22083452
N-(4-amino-2-methylquinolin-6-yl)-2-[(3-cyanophenoxy)methyl]benzamide
CID 22083457
1,3-bis(4-amino-2-methylquinolin-6-yl)urea;urea;hydrochloride
CID 89405609

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride?
The IUPAC name of N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride (CID 162308221) is N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride.
What is the SMILES notation for N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride?
The canonical SMILES for N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride is Cc1cc(N)c2cc(NC(=O)c3ccccc3CCCCc3ccccc3)ccc2n1.Cl.
What is the InChIKey of N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride?
The InChIKey is JEHLGUOUTXWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O.ClH/c1-19-17-25(28)24-18-22(15-16-26(24)29-19)30-27(31)23-14-8-7-13-21(23)12-6-5-11-20-9-3-2-4-10-20;/h2-4,7-10,13-18H,5-6,11-12H2,1H3,(H2,28,29)(H,30,31);1H.
What are the key properties of N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride?
N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride has a molecular weight of 445.99 g/mol, XLogP of 6.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylquinolin-6-yl)-2-(4-phenylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 162308221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).