7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide

C15H16N2O3 — CID 155555774

IUPAC7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3CCOC3)cnc2c1
InChIInChI=1S/C15H16N2O3/c1-19-13-3-2-10-6-11(8-16-14(10)7-13)15(18)17-12-4-5-20-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyGRYHOABLHYQPMP-LBPRGKRZSA-N
MW272.30 g/mol
LogP1.76
Rot. Bonds3

About 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide

7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide (PubChem CID 155555774) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide
PubChem CID155555774
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3CCOC3)cnc2c1
InChIInChI=1S/C15H16N2O3/c1-19-13-3-2-10-6-11(8-16-14(10)7-13)15(18)17-12-4-5-20-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyGRYHOABLHYQPMP-LBPRGKRZSA-N
XLogP1.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide (CID 155555774) is 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)N[C@H]3CCOC3)cnc2c1.
What is the InChIKey of 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide?
The InChIKey is GRYHOABLHYQPMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-3-2-10-6-11(8-16-14(10)7-13)15(18)17-12-4-5-20-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide?
7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3S)-oxolan-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 155555774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).