N-tert-butyl-6-chloro-2-phenylquinolin-4-amine

C19H19ClN2 — CID 166442508

IUPACN-tert-butyl-6-chloro-2-phenylquinolin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2/c1-19(2,3)22-18-12-17(13-7-5-4-6-8-13)21-16-10-9-14(20)11-15(16)18/h4-12H,1-3H3,(H,21,22)
InChIKeyUEWSYFDYLWGUFT-UHFFFAOYSA-N
MW310.83 g/mol
LogP5.77
Rot. Bonds2

About N-tert-butyl-6-chloro-2-phenylquinolin-4-amine

N-tert-butyl-6-chloro-2-phenylquinolin-4-amine (PubChem CID 166442508) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-2-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-2-phenylquinolin-4-amine
PubChem CID166442508
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN-tert-butyl-6-chloro-2-phenylquinolin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2/c1-19(2,3)22-18-12-17(13-7-5-4-6-8-13)21-16-10-9-14(20)11-15(16)18/h4-12H,1-3H3,(H,21,22)
InChIKeyUEWSYFDYLWGUFT-UHFFFAOYSA-N
XLogP5.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-6-chloro-2-phenylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199
N-tert-butyl-4-chloro-3-phenylquinolin-2-amine
CID 72701186
(6-methyl-2-phenylquinolin-4-yl)hydrazine
CID 62252637
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
(6-chloro-7-fluoro-2-phenylquinolin-4-yl)hydrazine
CID 113363447
4-chloro-N'-(2-phenylquinolin-4-yl)benzohydrazide
CID 11854402
4-N-(3,4-difluorophenyl)-2-phenylquinoline-4,6-diamine
CID 22417877
7-chloro-2-phenylquinoxaline
CID 12631823
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061
N-methyl-2-phenyl-6-propan-2-ylquinolin-4-amine
CID 63481504
6,8-dichloro-N-methyl-2-phenylquinolin-4-amine
CID 63481402
3-(6-chloro-4-phenylquinolin-2-yl)aniline
CID 8966018

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-2-phenylquinolin-4-amine?
The IUPAC name of N-tert-butyl-6-chloro-2-phenylquinolin-4-amine (CID 166442508) is N-tert-butyl-6-chloro-2-phenylquinolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-chloro-2-phenylquinolin-4-amine?
The canonical SMILES for N-tert-butyl-6-chloro-2-phenylquinolin-4-amine is CC(C)(C)Nc1cc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of N-tert-butyl-6-chloro-2-phenylquinolin-4-amine?
The InChIKey is UEWSYFDYLWGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-19(2,3)22-18-12-17(13-7-5-4-6-8-13)21-16-10-9-14(20)11-15(16)18/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-6-chloro-2-phenylquinolin-4-amine?
N-tert-butyl-6-chloro-2-phenylquinolin-4-amine has a molecular weight of 310.83 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-2-phenylquinolin-4-amine is sourced from PubChem (CID 166442508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).