4-chloro-N-phenylisoquinolin-3-amine

C15H11ClN2 — CID 91102388

IUPAC4-chloro-N-phenylisoquinolin-3-amine
SMILESClc1c(Nc2ccccc2)ncc2ccccc12
InChIInChI=1S/C15H11ClN2/c16-14-13-9-5-4-6-11(13)10-17-15(14)18-12-7-2-1-3-8-12/h1-10H,(H,17,18)
InChIKeyDKIPKIYOFPWAQH-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.63
Rot. Bonds2

About 4-chloro-N-phenylisoquinolin-3-amine

4-chloro-N-phenylisoquinolin-3-amine (PubChem CID 91102388) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-N-phenylisoquinolin-3-amine.

Molecular Properties

Compound Name4-chloro-N-phenylisoquinolin-3-amine
PubChem CID91102388
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name4-chloro-N-phenylisoquinolin-3-amine
SMILESClc1c(Nc2ccccc2)ncc2ccccc12
InChIInChI=1S/C15H11ClN2/c16-14-13-9-5-4-6-11(13)10-17-15(14)18-12-7-2-1-3-8-12/h1-10H,(H,17,18)
InChIKeyDKIPKIYOFPWAQH-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(chloromethyl)isoquinoline
CID 12051756
N-phenylisoquinolin-1-amine
CID 613037
N-phenylisoquinolin-1-amine;dihydrate
CID 51057780
3-chloro-2-N-phenylpyridine-2,5-diamine
CID 82472496
5-bromo-2-N-phenylpyrazine-2,3-diamine
CID 91037057
5-chloro-6-(1-fluoroethyl)-N-phenylpyrimidin-4-amine
CID 11644513
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
2-N-(4-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720832
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
3,6-dimethyl-N-phenylpyrazin-2-amine
CID 518389
6-chloro-N-phenylpyridin-3-amine
CID 175055218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenylisoquinolin-3-amine?
The IUPAC name of 4-chloro-N-phenylisoquinolin-3-amine (CID 91102388) is 4-chloro-N-phenylisoquinolin-3-amine.
What is the SMILES notation for 4-chloro-N-phenylisoquinolin-3-amine?
The canonical SMILES for 4-chloro-N-phenylisoquinolin-3-amine is Clc1c(Nc2ccccc2)ncc2ccccc12.
What is the InChIKey of 4-chloro-N-phenylisoquinolin-3-amine?
The InChIKey is DKIPKIYOFPWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-14-13-9-5-4-6-11(13)10-17-15(14)18-12-7-2-1-3-8-12/h1-10H,(H,17,18).
What are the key properties of 4-chloro-N-phenylisoquinolin-3-amine?
4-chloro-N-phenylisoquinolin-3-amine has a molecular weight of 254.72 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenylisoquinolin-3-amine is sourced from PubChem (CID 91102388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).