(2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide

C14H13ClN2O2 — CID 126841393

IUPAC(2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2ccncc12)[C@H]1CCCO1
InChIInChI=1S/C14H13ClN2O2/c15-11-4-3-9-5-6-16-8-10(9)13(11)17-14(18)12-2-1-7-19-12/h3-6,8,12H,1-2,7H2,(H,17,18)/t12-/m1/s1
InChIKeyDPNOKJZICYSNDV-GFCCVEGCSA-N
MW276.72 g/mol
LogP3.01
Rot. Bonds2

About (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide

(2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide (PubChem CID 126841393) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide
PubChem CID126841393
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2ccncc12)[C@H]1CCCO1
InChIInChI=1S/C14H13ClN2O2/c15-11-4-3-9-5-6-16-8-10(9)13(11)17-14(18)12-2-1-7-19-12/h3-6,8,12H,1-2,7H2,(H,17,18)/t12-/m1/s1
InChIKeyDPNOKJZICYSNDV-GFCCVEGCSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(oxolane-2-carbonylamino)benzoic acid
CID 90792803
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
methyl 3-chloro-6-fluoro-2-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 126833169
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-pyridin-4-yloxetane-2-carboxamide
CID 130979378
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
(2S)-N-(1H-imidazol-5-yl)oxolane-2-carboxamide
CID 130701743
3,5-dichloro-4-(oxolane-2-carbonylamino)benzenesulfonyl chloride
CID 43103226
N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide (CID 126841393) is (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide is O=C(Nc1c(Cl)ccc2ccncc12)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide?
The InChIKey is DPNOKJZICYSNDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-4-3-9-5-6-16-8-10(9)13(11)17-14(18)12-2-1-7-19-12/h3-6,8,12H,1-2,7H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide?
(2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(7-chloroisoquinolin-8-yl)oxolane-2-carboxamide is sourced from PubChem (CID 126841393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).