N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide

C15H16N2O2 — CID 154789089

IUPACN-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide
SMILESCc1nccc2c(NC(=O)C3CCCO3)cccc12
InChIInChI=1S/C15H16N2O2/c1-10-11-4-2-5-13(12(11)7-8-16-10)17-15(18)14-6-3-9-19-14/h2,4-5,7-8,14H,3,6,9H2,1H3,(H,17,18)
InChIKeyPTBOKBWSWBJYIJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.66
Rot. Bonds2

About N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide

N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide (PubChem CID 154789089) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide
PubChem CID154789089
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide
SMILESCc1nccc2c(NC(=O)C3CCCO3)cccc12
InChIInChI=1S/C15H16N2O2/c1-10-11-4-2-5-13(12(11)7-8-16-10)17-15(18)14-6-3-9-19-14/h2,4-5,7-8,14H,3,6,9H2,1H3,(H,17,18)
InChIKeyPTBOKBWSWBJYIJ-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
(2R)-N-(5-bromoquinolin-8-yl)oxolane-2-carboxamide
CID 35287150
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxolane-2-carboxamide
CID 42904447
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544

Frequently Asked Questions

What is the IUPAC name of N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide (CID 154789089) is N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide is Cc1nccc2c(NC(=O)C3CCCO3)cccc12.
What is the InChIKey of N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide?
The InChIKey is PTBOKBWSWBJYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-11-4-2-5-13(12(11)7-8-16-10)17-15(18)14-6-3-9-19-14/h2,4-5,7-8,14H,3,6,9H2,1H3,(H,17,18).
What are the key properties of N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide?
N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylisoquinolin-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 154789089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).