4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide

C24H25ClN2O3 — CID 100772965

IUPAC4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12
InChIInChI=1S/C24H25ClN2O3/c1-2-14-30-21-10-9-20(19-4-3-13-26-22(19)21)27-23(28)24(11-15-29-16-12-24)17-5-7-18(25)8-6-17/h3-10,13H,2,11-12,14-16H2,1H3,(H,27,28)
InChIKeyFHKPZFNUNSMAQR-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.36
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide (PubChem CID 100772965) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
PubChem CID100772965
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12
InChIInChI=1S/C24H25ClN2O3/c1-2-14-30-21-10-9-20(19-4-3-13-26-22(19)21)27-23(28)24(11-15-29-16-12-24)17-5-7-18(25)8-6-17/h3-10,13H,2,11-12,14-16H2,1H3,(H,27,28)
InChIKeyFHKPZFNUNSMAQR-UHFFFAOYSA-N
XLogP5.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772769
1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100771786
4-(4-chlorophenyl)-N-(3,5-dimethyl-4-propoxyphenyl)oxane-4-carboxamide
CID 100685928
4-(4-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749727
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750314
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide (CID 100772965) is 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12.
What is the InChIKey of 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide?
The InChIKey is FHKPZFNUNSMAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-2-14-30-21-10-9-20(19-4-3-13-26-22(19)21)27-23(28)24(11-15-29-16-12-24)17-5-7-18(25)8-6-17/h3-10,13H,2,11-12,14-16H2,1H3,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 100772965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).