4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine

C23H27ClN2 — CID 72701717

IUPAC4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc2ccccc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C23H27ClN2/c1-22(2,3)15-23(4,5)26-21-19(16-11-7-6-8-12-16)20(24)17-13-9-10-14-18(17)25-21/h6-14H,15H2,1-5H3,(H,25,26)
InChIKeyJKHRNXJEYWTJPY-UHFFFAOYSA-N
MW366.94 g/mol
LogP7.18
Rot. Bonds4

About 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine

4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine (PubChem CID 72701717) has the molecular formula C23H27ClN2 and a molecular weight of 366.94 g/mol. Its IUPAC name is 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine
PubChem CID72701717
Molecular FormulaC23H27ClN2
Molecular Weight366.94 g/mol
Exact Mass366.19
IUPAC Name4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc2ccccc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C23H27ClN2/c1-22(2,3)15-23(4,5)26-21-19(16-11-7-6-8-12-16)20(24)17-13-9-10-14-18(17)25-21/h6-14H,15H2,1-5H3,(H,25,26)
InChIKeyJKHRNXJEYWTJPY-UHFFFAOYSA-N
XLogP7.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.94
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-chloro-3-phenylquinolin-2-amine
CID 72701186
N-[(4-chloro-3-phenylquinolin-2-yl)methyl]but-1-en-2-amine
CID 155349290
2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 71461780
3-chloro-2,4-diphenylquinoline
CID 10781654
3-(2-bromophenyl)-N-butyl-4-chloroquinolin-2-amine
CID 72701858
2-tert-butyl-9-chloroacridine
CID 620349
N-tert-butyl-6-chloro-2-phenylquinolin-4-amine
CID 166442508
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
N-[2-methyl-4-(4-methylpiperazin-1-yl)butan-2-yl]-2-phenylquinazolin-4-amine
CID 133481242
2,4-dichloro-8-methoxy-3-phenylquinoline
CID 2780585
4-chloro-2,3-didecylquinoline
CID 141080010
4-chloro-N-methyl-3-nitroquinolin-2-amine
CID 70975596

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine?
The IUPAC name of 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine (CID 72701717) is 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine.
What is the SMILES notation for 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine?
The canonical SMILES for 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine is CC(C)(C)CC(C)(C)Nc1nc2ccccc2c(Cl)c1-c1ccccc1.
What is the InChIKey of 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine?
The InChIKey is JKHRNXJEYWTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2/c1-22(2,3)15-23(4,5)26-21-19(16-11-7-6-8-12-16)20(24)17-13-9-10-14-18(17)25-21/h6-14H,15H2,1-5H3,(H,25,26).
What are the key properties of 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine?
4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine has a molecular weight of 366.94 g/mol, XLogP of 7.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)quinolin-2-amine is sourced from PubChem (CID 72701717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).