N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide

C16H18N2O3 — CID 164635263

IUPACN-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide
SMILESCO[C@H]1COCC[C@@H]1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-20-15-10-21-9-8-13(15)18-16(19)14-7-6-11-4-2-3-5-12(11)17-14/h2-7,13,15H,8-10H2,1H3,(H,18,19)/t13-,15-/m0/s1
InChIKeyXMTGEMHRVCSRKM-ZFWWWQNUSA-N
MW286.33 g/mol
LogP1.77
Rot. Bonds3

About N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide

N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide (PubChem CID 164635263) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide
PubChem CID164635263
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide
SMILESCO[C@H]1COCC[C@@H]1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-20-15-10-21-9-8-13(15)18-16(19)14-7-6-11-4-2-3-5-12(11)17-14/h2-7,13,15H,8-10H2,1H3,(H,18,19)/t13-,15-/m0/s1
InChIKeyXMTGEMHRVCSRKM-ZFWWWQNUSA-N
XLogP1.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide (CID 164635263) is N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide is CO[C@H]1COCC[C@@H]1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide?
The InChIKey is XMTGEMHRVCSRKM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-15-10-21-9-8-13(15)18-16(19)14-7-6-11-4-2-3-5-12(11)17-14/h2-7,13,15H,8-10H2,1H3,(H,18,19)/t13-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide?
N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxyoxan-4-yl]quinoline-2-carboxamide is sourced from PubChem (CID 164635263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).