N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide

C16H18N2O4 — CID 91785243

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)c2ccccc2n1
InChIInChI=1S/C16H18N2O4/c1-21-15-8-11(10-4-2-3-5-12(10)17-15)16(20)18-13-6-7-22-9-14(13)19/h2-5,8,13-14,19H,6-7,9H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyCMUFYCCYEGJSOI-ZIAGYGMSSA-N
MW302.33 g/mol
LogP1.12
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide (PubChem CID 91785243) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
PubChem CID91785243
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
SMILESCOc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)c2ccccc2n1
InChIInChI=1S/C16H18N2O4/c1-21-15-8-11(10-4-2-3-5-12(10)17-15)16(20)18-13-6-7-22-9-14(13)19/h2-5,8,13-14,19H,6-7,9H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyCMUFYCCYEGJSOI-ZIAGYGMSSA-N
XLogP1.12
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
2-hydrazinyl-N-(oxolan-3-yl)quinoline-4-carboxamide
CID 80714740
(2-methoxyquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135105873
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]quinoline-2-carboxamide
CID 53307086
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 91775593
4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate
CID 6954390
[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134701449

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide (CID 91785243) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide is COc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)c2ccccc2n1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide?
The InChIKey is CMUFYCCYEGJSOI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-15-8-11(10-4-2-3-5-12(10)17-15)16(20)18-13-6-7-22-9-14(13)19/h2-5,8,13-14,19H,6-7,9H2,1H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 91785243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).