N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide

C16H18N2O3 — CID 103279780

IUPACN-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c19-12-6-5-10(7-12)9-17-16(21)14-8-11-3-1-2-4-13(11)15(20)18-14/h1-4,8,10,12,19H,5-7,9H2,(H,17,21)(H,18,20)
InChIKeyRCEBMDULUIXTFS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.42
Rot. Bonds3

About N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 103279780) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID103279780
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(NCC1CCC(O)C1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H18N2O3/c19-12-6-5-10(7-12)9-17-16(21)14-8-11-3-1-2-4-13(11)15(20)18-14/h1-4,8,10,12,19H,5-7,9H2,(H,17,21)(H,18,20)
InChIKeyRCEBMDULUIXTFS-UHFFFAOYSA-N
XLogP1.42
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 103279780) is N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide is O=C(NCC1CCC(O)C1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is RCEBMDULUIXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-12-6-5-10(7-12)9-17-16(21)14-8-11-3-1-2-4-13(11)15(20)18-14/h1-4,8,10,12,19H,5-7,9H2,(H,17,21)(H,18,20).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 103279780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).