4-chloro-5-methoxyisoquinoline

C10H8ClNO — CID 119083808

IUPAC4-chloro-5-methoxyisoquinoline
SMILESCOc1cccc2cncc(Cl)c12
InChIInChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-5-12-6-8(11)10(7)9/h2-6H,1H3
InChIKeyQRSZSZKZFVDDSF-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.90
Rot. Bonds1

About 4-chloro-5-methoxyisoquinoline

4-chloro-5-methoxyisoquinoline (PubChem CID 119083808) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 4-chloro-5-methoxyisoquinoline.

Molecular Properties

Compound Name4-chloro-5-methoxyisoquinoline
PubChem CID119083808
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name4-chloro-5-methoxyisoquinoline
SMILESCOc1cccc2cncc(Cl)c12
InChIInChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-5-12-6-8(11)10(7)9/h2-6H,1H3
InChIKeyQRSZSZKZFVDDSF-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-6-methoxyquinoline
CID 228348
6,7-Dimethoxyisoquinoline
CID 177578
3-(1-Chloro-7-methoxynaphthalen-2-yl)pyridine
CID 11680597
7-Methoxyisoquinoline
CID 594375
4-(6-Methoxy-3-methyl-3,4-dihydronaphthalen-2-yl)isoquinoline
CID 25034428
5-(4-Phenoxybutoxy)isoquinoline
CID 45271233
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204
N-[4-Chloro-7-(2-methoxy-phenyl)-isoquinolin-1-yl]-guanidine
CID 9949275
N-[4-Chloro-7-(3-methoxy-phenyl)-isoquinolin-1-yl]-guanidine
CID 21192441
1-Methoxyisoquinoline
CID 141052
6-Methoxyisoquinoline
CID 11040978
7-Methoxy-3-methylisoquinoline
CID 269729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxyisoquinoline?
The IUPAC name of 4-chloro-5-methoxyisoquinoline (CID 119083808) is 4-chloro-5-methoxyisoquinoline.
What is the SMILES notation for 4-chloro-5-methoxyisoquinoline?
The canonical SMILES for 4-chloro-5-methoxyisoquinoline is COc1cccc2cncc(Cl)c12.
What is the InChIKey of 4-chloro-5-methoxyisoquinoline?
The InChIKey is QRSZSZKZFVDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-5-12-6-8(11)10(7)9/h2-6H,1H3.
What are the key properties of 4-chloro-5-methoxyisoquinoline?
4-chloro-5-methoxyisoquinoline has a molecular weight of 193.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxyisoquinoline is sourced from PubChem (CID 119083808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).