1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide

C16H17ClN2O2 — CID 65107488

IUPAC1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1cc2ccccc2c(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c17-14-12-6-2-1-5-11(12)9-13(19-14)15(20)18-10-16(21)7-3-4-8-16/h1-2,5-6,9,21H,3-4,7-8,10H2,(H,18,20)
InChIKeySLTQLWPLZKTZIM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.92
Rot. Bonds3

About 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide

1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide (PubChem CID 65107488) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide
PubChem CID65107488
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide
SMILESO=C(NCC1(O)CCCC1)c1cc2ccccc2c(Cl)n1
InChIInChI=1S/C16H17ClN2O2/c17-14-12-6-2-1-5-11(12)9-13(19-14)15(20)18-10-16(21)7-3-4-8-16/h1-2,5-6,9,21H,3-4,7-8,10H2,(H,18,20)
InChIKeySLTQLWPLZKTZIM-UHFFFAOYSA-N
XLogP2.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(1-methylcyclobutyl)isoquinoline-3-carboxamide
CID 115766236
1-chloro-N-(2-cyclobutylethyl)isoquinoline-3-carboxamide
CID 115687065
1-chloro-N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-3-carboxamide
CID 115282633
1-chloro-N-[2-(cyclopenten-1-yl)ethyl]isoquinoline-3-carboxamide
CID 106173624
1-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]isoquinoline-3-carboxamide
CID 104630197
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
1-chloro-N-(4-hydroxy-2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 115968973
1-chloro-N-[(1-methylpyrrol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103714433
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
1-chloro-N-(3-fluorophenyl)isoquinoline-3-carboxamide
CID 43342757

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide?
The IUPAC name of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide (CID 65107488) is 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide is O=C(NCC1(O)CCCC1)c1cc2ccccc2c(Cl)n1.
What is the InChIKey of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide?
The InChIKey is SLTQLWPLZKTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-12-6-2-1-5-11(12)9-13(19-14)15(20)18-10-16(21)7-3-4-8-16/h1-2,5-6,9,21H,3-4,7-8,10H2,(H,18,20).
What are the key properties of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide?
1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 65107488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).