N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide

C18H18N4O2 — CID 155631184

IUPACN-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide
SMILESCc1nccn1-c1ccc2cnc(NC(=O)C3CCCO3)cc2c1
InChIInChI=1S/C18H18N4O2/c1-12-19-6-7-22(12)15-5-4-13-11-20-17(10-14(13)9-15)21-18(23)16-3-2-8-24-16/h4-7,9-11,16H,2-3,8H2,1H3,(H,20,21,23)
InChIKeyOMYCBDWQHOMTIJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.85
Rot. Bonds3

About N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide

N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide (PubChem CID 155631184) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide
PubChem CID155631184
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide
SMILESCc1nccn1-c1ccc2cnc(NC(=O)C3CCCO3)cc2c1
InChIInChI=1S/C18H18N4O2/c1-12-19-6-7-22(12)15-5-4-13-11-20-17(10-14(13)9-15)21-18(23)16-3-2-8-24-16/h4-7,9-11,16H,2-3,8H2,1H3,(H,20,21,23)
InChIKeyOMYCBDWQHOMTIJ-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]oxolane-2-carboxamide
CID 138588775
(2R)-N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]oxolane-2-carboxamide
CID 57411209
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113026042
N-[7-chloro-6-[4-(4-hydroxy-3-methyloxolan-3-yl)piperazin-1-yl]isoquinolin-3-yl]oxolane-2-carboxamide
CID 164514529
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
N-[4-(3-methylpyrazol-1-yl)phenyl]oxolane-2-carboxamide
CID 45154182

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide (CID 155631184) is N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide is Cc1nccn1-c1ccc2cnc(NC(=O)C3CCCO3)cc2c1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide?
The InChIKey is OMYCBDWQHOMTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-19-6-7-22(12)15-5-4-13-11-20-17(10-14(13)9-15)21-18(23)16-3-2-8-24-16/h4-7,9-11,16H,2-3,8H2,1H3,(H,20,21,23).
What are the key properties of N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide?
N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)isoquinolin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 155631184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).