N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide

C18H20N2O3 — CID 172902870

IUPACN-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C3CC3)c(C(=O)NC3CCC3)cc2c1
InChIInChI=1S/C18H20N2O3/c1-23-14-7-8-15-11(9-14)10-16(17(21)19-12-3-2-4-12)20(18(15)22)13-5-6-13/h7-10,12-13H,2-6H2,1H3,(H,19,21)
InChIKeyFVBRALMVNKNXDJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds4

About N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide

N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide (PubChem CID 172902870) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
PubChem CID172902870
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
SMILESCOc1ccc2c(=O)n(C3CC3)c(C(=O)NC3CCC3)cc2c1
InChIInChI=1S/C18H20N2O3/c1-23-14-7-8-15-11(9-14)10-16(17(21)19-12-3-2-4-12)20(18(15)22)13-5-6-13/h7-10,12-13H,2-6H2,1H3,(H,19,21)
InChIKeyFVBRALMVNKNXDJ-UHFFFAOYSA-N
XLogP2.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
N-cyclopropyl-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905235
2-cyclopropyl-6-methoxy-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 172903097
2-cyclopropyl-6-methoxy-1-oxo-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 172904811
2-cyclopropyl-N,N-diethyl-6-methoxy-1-oxoisoquinoline-3-carboxamide
CID 172903255
4-(6-methoxy-3-methyl-1-oxoisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089801
N-(cyclohexylmethyl)-2,6-dimethoxy-1-oxoisoquinoline-3-carboxamide
CID 172905239
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
2,6-dimethoxy-1-oxo-N-prop-2-ynylisoquinoline-3-carboxamide
CID 172905283
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide (CID 172902870) is N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide is COc1ccc2c(=O)n(C3CC3)c(C(=O)NC3CCC3)cc2c1.
What is the InChIKey of N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
The InChIKey is FVBRALMVNKNXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-14-7-8-15-11(9-14)10-16(17(21)19-12-3-2-4-12)20(18(15)22)13-5-6-13/h7-10,12-13H,2-6H2,1H3,(H,19,21).
What are the key properties of N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide?
N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 172902870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).