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

C16H15ClN2OS — CID 106538035

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC(C)c3ccc(Cl)s3)nccc12
InChIInChI=1S/C16H15ClN2OS/c1-10(14-6-7-15(17)21-14)19-16-12-4-3-5-13(20-2)11(12)8-9-18-16/h3-10H,1-2H3,(H,18,19)
InChIKeyMHIVZYQOSIDUIL-UHFFFAOYSA-N
MW318.83 g/mol
LogP5.13
Rot. Bonds4

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine (PubChem CID 106538035) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
PubChem CID106538035
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC(C)c3ccc(Cl)s3)nccc12
InChIInChI=1S/C16H15ClN2OS/c1-10(14-6-7-15(17)21-14)19-16-12-4-3-5-13(20-2)11(12)8-9-18-16/h3-10H,1-2H3,(H,18,19)
InChIKeyMHIVZYQOSIDUIL-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.83
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-methoxyisoquinolin-1-amine
CID 106538714
N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
CID 106542822
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-4-amine
CID 61472818
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538806
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800
N-(1-chloro-3-methoxypropan-2-yl)-5-methoxyisoquinolin-1-amine
CID 114154936
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine (CID 106538035) is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine is COc1cccc2c(NC(C)c3ccc(Cl)s3)nccc12.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine?
The InChIKey is MHIVZYQOSIDUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-10(14-6-7-15(17)21-14)19-16-12-4-3-5-13(20-2)11(12)8-9-18-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine has a molecular weight of 318.83 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).