N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine

C21H15ClN2 — CID 155544187

IUPACN-(3-chlorophenyl)-4-phenylisoquinolin-1-amine
SMILESClc1cccc(Nc2ncc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C21H15ClN2/c22-16-9-6-10-17(13-16)24-21-19-12-5-4-11-18(19)20(14-23-21)15-7-2-1-3-8-15/h1-14H,(H,23,24)
InChIKeyRMEUSDQGESEFKW-UHFFFAOYSA-N
MW330.82 g/mol
LogP6.30
Rot. Bonds3

About N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine

N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine (PubChem CID 155544187) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-phenylisoquinolin-1-amine
PubChem CID155544187
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC NameN-(3-chlorophenyl)-4-phenylisoquinolin-1-amine
SMILESClc1cccc(Nc2ncc(-c3ccccc3)c3ccccc23)c1
InChIInChI=1S/C21H15ClN2/c22-16-9-6-10-17(13-16)24-21-19-12-5-4-11-18(19)20(14-23-21)15-7-2-1-3-8-15/h1-14H,(H,23,24)
InChIKeyRMEUSDQGESEFKW-UHFFFAOYSA-N
XLogP6.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vatalanib
CID 151194
4-(3-Chloroanilino)quinazoline
CID 128872
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-phenylisoquinolin-1-amine
CID 613037
N-(4-Chloro-7-p-tolyl-isoquinolin-1-yl)-guanidine
CID 44339119
Pyrazine-Pyridine Biheteroaryl 59
CID 5330384
N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
CID 6326416
1-(4-Chloroanilino)-4-(4-pyridylmethylamino)phthalazine
CID 6326421
6-[(3-Chloroanilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462111
7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine
CID 1490541

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine?
The IUPAC name of N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine (CID 155544187) is N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine is Clc1cccc(Nc2ncc(-c3ccccc3)c3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine?
The InChIKey is RMEUSDQGESEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-16-9-6-10-17(13-16)24-21-19-12-5-4-11-18(19)20(14-23-21)15-7-2-1-3-8-15/h1-14H,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine?
N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine has a molecular weight of 330.82 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-phenylisoquinolin-1-amine is sourced from PubChem (CID 155544187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).