N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide

C23H24N2O4 — CID 71753557

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(=O)[nH]c4ccccc34)CCOCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-28-17-8-6-16(7-9-17)23(10-12-29-13-11-23)15-24-22(27)19-14-21(26)25-20-5-3-2-4-18(19)20/h2-9,14H,10-13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyACSVPIGPXFLNKJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 71753557) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID71753557
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3cc(=O)[nH]c4ccccc34)CCOCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-28-17-8-6-16(7-9-17)23(10-12-29-13-11-23)15-24-22(27)19-14-21(26)25-20-5-3-2-4-18(19)20/h2-9,14H,10-13,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyACSVPIGPXFLNKJ-UHFFFAOYSA-N
XLogP3.01
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
N-[[1-(3-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166265825
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
N-[[1-(2-chlorophenyl)cyclohexyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167855135
N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119404378

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 71753557) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide is COc1ccc(C2(CNC(=O)c3cc(=O)[nH]c4ccccc34)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ACSVPIGPXFLNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-17-8-6-16(7-9-17)23(10-12-29-13-11-23)15-24-22(27)19-14-21(26)25-20-5-3-2-4-18(19)20/h2-9,14H,10-13,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 71753557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).