4-chloro-N-isoquinolin-1-ylquinolin-3-amine

C18H12ClN3 — CID 42598990

IUPAC4-chloro-N-isoquinolin-1-ylquinolin-3-amine
SMILESClc1c(Nc2nccc3ccccc23)cnc2ccccc12
InChIInChI=1S/C18H12ClN3/c19-17-14-7-3-4-8-15(14)21-11-16(17)22-18-13-6-2-1-5-12(13)9-10-20-18/h1-11H,(H,20,22)
InChIKeyAJZBSPMXXNFDJW-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.18
Rot. Bonds2

About 4-chloro-N-isoquinolin-1-ylquinolin-3-amine

4-chloro-N-isoquinolin-1-ylquinolin-3-amine (PubChem CID 42598990) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-isoquinolin-1-ylquinolin-3-amine.

Molecular Properties

Compound Name4-chloro-N-isoquinolin-1-ylquinolin-3-amine
PubChem CID42598990
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name4-chloro-N-isoquinolin-1-ylquinolin-3-amine
SMILESClc1c(Nc2nccc3ccccc23)cnc2ccccc12
InChIInChI=1S/C18H12ClN3/c19-17-14-7-3-4-8-15(14)21-11-16(17)22-18-13-6-2-1-5-12(13)9-10-20-18/h1-11H,(H,20,22)
InChIKeyAJZBSPMXXNFDJW-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-pyrimidin-2-ylquinolin-3-amine
CID 42598988
N-naphthalen-1-ylisoquinolin-1-amine
CID 3677376
N-(2-bromophenyl)isoquinolin-1-amine;dihydrate
CID 51057776
N-phenylisoquinolin-1-amine
CID 613037
N-phenylisoquinolin-1-amine;dihydrate
CID 51057780
N-(4-chloroquinolin-3-yl)formamide
CID 86227468
N-pyrazin-2-ylisoquinolin-1-amine
CID 66836772
4-chloro-3-fluoroquinoline
CID 22284824
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
N-(4-methylphenyl)isoquinolin-1-amine;dihydrate
CID 51057775
ethane;isoquinolin-1-ylhydrazine
CID 142316933
4-N-isoquinolin-1-ylpyrimidine-4,6-diamine
CID 117086445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-isoquinolin-1-ylquinolin-3-amine?
The IUPAC name of 4-chloro-N-isoquinolin-1-ylquinolin-3-amine (CID 42598990) is 4-chloro-N-isoquinolin-1-ylquinolin-3-amine.
What is the SMILES notation for 4-chloro-N-isoquinolin-1-ylquinolin-3-amine?
The canonical SMILES for 4-chloro-N-isoquinolin-1-ylquinolin-3-amine is Clc1c(Nc2nccc3ccccc23)cnc2ccccc12.
What is the InChIKey of 4-chloro-N-isoquinolin-1-ylquinolin-3-amine?
The InChIKey is AJZBSPMXXNFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-17-14-7-3-4-8-15(14)21-11-16(17)22-18-13-6-2-1-5-12(13)9-10-20-18/h1-11H,(H,20,22).
What are the key properties of 4-chloro-N-isoquinolin-1-ylquinolin-3-amine?
4-chloro-N-isoquinolin-1-ylquinolin-3-amine has a molecular weight of 305.77 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-isoquinolin-1-ylquinolin-3-amine is sourced from PubChem (CID 42598990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).