N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine

C15H13ClN2OS — CID 106538714

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NCc3ccc(Cl)s3)nccc12
InChIInChI=1S/C15H13ClN2OS/c1-19-13-4-2-3-12-11(13)7-8-17-15(12)18-9-10-5-6-14(16)20-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPMHCROSGGRXWJU-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.57
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine (PubChem CID 106538714) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
PubChem CID106538714
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NCc3ccc(Cl)s3)nccc12
InChIInChI=1S/C15H13ClN2OS/c1-19-13-4-2-3-12-11(13)7-8-17-15(12)18-9-10-5-6-14(16)20-10/h2-8H,9H2,1H3,(H,17,18)
InChIKeyPMHCROSGGRXWJU-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538907
5-methoxy-N-(1,2-oxazol-5-ylmethyl)isoquinolin-1-amine
CID 106419042
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
CID 106538035
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-[(4-bromophenyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106537400
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946
5-methoxy-N-[(1-methylimidazol-2-yl)methyl]isoquinolin-1-amine
CID 106538538
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]isoquinolin-1-amine
CID 106537769
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine (CID 106538714) is N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine is COc1cccc2c(NCc3ccc(Cl)s3)nccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine?
The InChIKey is PMHCROSGGRXWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-19-13-4-2-3-12-11(13)7-8-17-15(12)18-9-10-5-6-14(16)20-10/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine has a molecular weight of 304.80 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).