2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide

C15H15ClN2O2 — CID 82725051

IUPAC2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H15ClN2O2/c1-9-12(6-7-20-9)18-15(19)11-8-14(16)17-13-5-3-2-4-10(11)13/h2-5,8-9,12H,6-7H2,1H3,(H,18,19)
InChIKeyLSQZGFXSUXJSDO-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.80
Rot. Bonds2

About 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide

2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide (PubChem CID 82725051) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
PubChem CID82725051
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H15ClN2O2/c1-9-12(6-7-20-9)18-15(19)11-8-14(16)17-13-5-3-2-4-10(11)13/h2-5,8-9,12H,6-7H2,1H3,(H,18,19)
InChIKeyLSQZGFXSUXJSDO-UHFFFAOYSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
2-chloro-N-(3-methyloxolan-3-yl)quinoline-4-carboxamide
CID 115769318
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
CID 91785243
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
6-[(2-methyloxolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82737181
6-chloro-N-(2-methyloxolan-3-yl)pyridazine-3-carboxamide
CID 82726377
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide (CID 82725051) is 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide is CC1OCCC1NC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide?
The InChIKey is LSQZGFXSUXJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-12(6-7-20-9)18-15(19)11-8-14(16)17-13-5-3-2-4-10(11)13/h2-5,8-9,12H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide?
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 82725051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).