1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide

C15H11ClN2O2 — CID 106765838

IUPAC1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-14-12-6-2-1-5-11(12)13(9-17-14)15(19)18-8-10-4-3-7-20-10/h1-7,9H,8H2,(H,18,19)
InChIKeyNDDNBELUAVLCRO-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.41
Rot. Bonds3

About 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide

1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 106765838) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
PubChem CID106765838
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(Cl)c2ccccc12
InChIInChI=1S/C15H11ClN2O2/c16-14-12-6-2-1-5-11(12)13(9-17-14)15(19)18-8-10-4-3-7-20-10/h1-7,9H,8H2,(H,18,19)
InChIKeyNDDNBELUAVLCRO-UHFFFAOYSA-N
XLogP3.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 51283905
1-chloro-N-(2-cyanoethyl)isoquinoline-4-carboxamide
CID 106766059
1-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]isoquinoline-4-carboxamide
CID 106766043
N-(2-acetamidoethyl)-1-chloroisoquinoline-4-carboxamide
CID 106765961
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
1-chloro-N-(3,3-dimethylbutyl)isoquinoline-4-carboxamide
CID 106766411
1-chloro-N-(2-ethylbutyl)isoquinoline-4-carboxamide
CID 106766412
4-(dimethylamino)-N-(furan-2-ylmethyl)-2-phenylpyrimidine-5-carboxamide
CID 42670141
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide (CID 106765838) is 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide is O=C(NCc1ccco1)c1cnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is NDDNBELUAVLCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-14-12-6-2-1-5-11(12)13(9-17-14)15(19)18-8-10-4-3-7-20-10/h1-7,9H,8H2,(H,18,19).
What are the key properties of 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide?
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106765838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).