N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide

C14H13NO4 — CID 172882109

IUPACN-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)NC3CC3)cc2c1
InChIInChI=1S/C14H13NO4/c1-18-10-4-5-11-8(6-10)7-12(19-14(11)17)13(16)15-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,16)
InChIKeyQBFFTSBZANLDMF-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.69
Rot. Bonds3

About N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide

N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide (PubChem CID 172882109) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
PubChem CID172882109
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc2c(=O)oc(C(=O)NC3CC3)cc2c1
InChIInChI=1S/C14H13NO4/c1-18-10-4-5-11-8(6-10)7-12(19-14(11)17)13(16)15-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,16)
InChIKeyQBFFTSBZANLDMF-UHFFFAOYSA-N
XLogP1.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-6-methoxy-1-oxoisochromene-3-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

6-methoxy-1-oxo-N-(2,4,6-trimethylphenyl)isochromene-3-carboxamide
CID 172905265
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 175651899
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651972
6-methoxy-1-oxo-N-[4-(trifluoromethyl)phenyl]isochromene-3-carboxamide
CID 172905513
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
CID 175652128
N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
CID 99797944
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969
N-cyclopropyl-7-nitro-1-oxoisochromene-3-carboxamide
CID 172904128

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide (CID 172882109) is N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide is COc1ccc2c(=O)oc(C(=O)NC3CC3)cc2c1.
What is the InChIKey of N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide?
The InChIKey is QBFFTSBZANLDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-10-4-5-11-8(6-10)7-12(19-14(11)17)13(16)15-9-2-3-9/h4-7,9H,2-3H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide?
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 172882109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).