N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine

C19H19ClN2 — CID 50923299

IUPACN-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine
SMILESCc1cc2ccc(C(C)C)cc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2/c1-12(2)14-4-5-15-10-13(3)19(22-18(15)11-14)21-17-8-6-16(20)7-9-17/h4-12H,1-3H3,(H,21,22)
InChIKeyGNTKNLGVIRYZRK-UHFFFAOYSA-N
MW310.83 g/mol
LogP6.06
Rot. Bonds3

About N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine

N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine (PubChem CID 50923299) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine
PubChem CID50923299
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine
SMILESCc1cc2ccc(C(C)C)cc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2/c1-12(2)14-4-5-15-10-13(3)19(22-18(15)11-14)21-17-8-6-16(20)7-9-17/h4-12H,1-3H3,(H,21,22)
InChIKeyGNTKNLGVIRYZRK-UHFFFAOYSA-N
XLogP6.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,7-dimethylquinolin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 50923303
1-N-methyl-4-N-(3-methylquinolin-2-yl)benzene-1,4-diamine
CID 154949074
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
N-phenyl-7-propan-2-ylquinolin-2-amine
CID 126500193
4,6-dimethyl-2-(4-propan-2-ylanilino)pyridine-3-carbonitrile
CID 60710577
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
5-methoxy-N-(4-propan-2-ylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 146200585
2-ethyl-5-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80976892
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine (CID 50923299) is N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine is Cc1cc2ccc(C(C)C)cc2nc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine?
The InChIKey is GNTKNLGVIRYZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-12(2)14-4-5-15-10-13(3)19(22-18(15)11-14)21-17-8-6-16(20)7-9-17/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine?
N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine has a molecular weight of 310.83 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-7-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 50923299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).