4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide

C23H21FN2O3 — CID 171645698

IUPAC4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide
SMILESCc1cc(CC=O)c(F)cc1Oc1ccnc2ccc(C(=O)NC3(C)CC3)cc12
InChIInChI=1S/C23H21FN2O3/c1-14-11-15(6-10-27)18(24)13-21(14)29-20-5-9-25-19-4-3-16(12-17(19)20)22(28)26-23(2)7-8-23/h3-5,9-13H,6-8H2,1-2H3,(H,26,28)
InChIKeyZKABFFLEODQIRD-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.50
Rot. Bonds6

About 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide

4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide (PubChem CID 171645698) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide
PubChem CID171645698
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide
SMILESCc1cc(CC=O)c(F)cc1Oc1ccnc2ccc(C(=O)NC3(C)CC3)cc12
InChIInChI=1S/C23H21FN2O3/c1-14-11-15(6-10-27)18(24)13-21(14)29-20-5-9-25-19-4-3-16(12-17(19)20)22(28)26-23(2)7-8-23/h3-5,9-13H,6-8H2,1-2H3,(H,26,28)
InChIKeyZKABFFLEODQIRD-UHFFFAOYSA-N
XLogP4.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-methylpyrazol-4-amine;N-(3,3-difluorocyclobutyl)-4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]quinoline-6-carboxamide
CID 171645385
4-(4-ethyl-5-fluoro-2-methylphenoxy)-N-(oxetan-3-ylmethyl)quinoline-6-carboxamide
CID 171646055
N-[4-(6,7-dimethylquinolin-4-yl)oxy-2,5-difluorophenyl]-1-methylcyclopropane-1-carboxamide
CID 155382115
N-[(E)-1-amino-3-tert-butyliminoprop-1-en-2-yl]formamide;[4-(4-ethyl-5-fluoro-2-methylphenoxy)quinolin-6-yl]-[(3S)-3-methylmorpholin-4-yl]methanone
CID 171646136
4-[4-[2-[[(E)-1-amino-3-tert-butyliminoprop-1-en-2-yl]amino]-2-oxoethyl]-3,5-difluoro-2-methylphenoxy]-N-methylquinoline-6-carboxamide
CID 171645434
4-fluoro-N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167533681
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-3-fluoro-2-methylphenoxy]-N-ethylquinoline-6-carboxamide
CID 171645503
4-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxybenzamide
CID 167645967
4-[4-[2-[(1-tert-butylpyrazol-4-yl)amino]-2-oxoethyl]-5-fluoro-2-methylphenoxy]-7-chloro-N-methylquinoline-6-carboxamide
CID 174367060
CID 176994101
CID 176994101
methyl 4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]quinoline-6-carboxylate
CID 139350474
1-N'-[2,5-difluoro-4-[6-methyl-7-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350154

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide?
The IUPAC name of 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide (CID 171645698) is 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide?
The canonical SMILES for 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide is Cc1cc(CC=O)c(F)cc1Oc1ccnc2ccc(C(=O)NC3(C)CC3)cc12.
What is the InChIKey of 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide?
The InChIKey is ZKABFFLEODQIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-14-11-15(6-10-27)18(24)13-21(14)29-20-5-9-25-19-4-3-16(12-17(19)20)22(28)26-23(2)7-8-23/h3-5,9-13H,6-8H2,1-2H3,(H,26,28).
What are the key properties of 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide?
4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-methyl-4-(2-oxoethyl)phenoxy]-N-(1-methylcyclopropyl)quinoline-6-carboxamide is sourced from PubChem (CID 171645698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).