2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide

C22H22N2O4 — CID 52829074

IUPAC2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NO[C@@H]3CCCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O4/c1-26-16-11-9-15(10-12-16)20-14-18(17-6-2-3-7-19(17)23-20)22(25)24-28-21-8-4-5-13-27-21/h2-3,6-7,9-12,14,21H,4-5,8,13H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyPVCMTZHGTHEDPV-OAQYLSRUSA-N
MW378.43 g/mol
LogP4.10
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide (PubChem CID 52829074) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
PubChem CID52829074
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NO[C@@H]3CCCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O4/c1-26-16-11-9-15(10-12-16)20-14-18(17-6-2-3-7-19(17)23-20)22(25)24-28-21-8-4-5-13-27-21/h2-3,6-7,9-12,14,21H,4-5,8,13H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyPVCMTZHGTHEDPV-OAQYLSRUSA-N
XLogP4.10
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide
CID 60612986
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
N-(1-carbamoylcyclohexyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78881229
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide (CID 52829074) is 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NO[C@@H]3CCCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide?
The InChIKey is PVCMTZHGTHEDPV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-16-11-9-15(10-12-16)20-14-18(17-6-2-3-7-19(17)23-20)22(25)24-28-21-8-4-5-13-27-21/h2-3,6-7,9-12,14,21H,4-5,8,13H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide is sourced from PubChem (CID 52829074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).