N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide

C24H27FN2O4 — CID 142136956

IUPACN-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide
SMILESCOc1cc2nccc(OCCCNC(=O)CCCc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C24H27FN2O4/c1-29-22-15-19-20(16-23(22)30-2)26-13-11-21(19)31-14-4-12-27-24(28)6-3-5-17-7-9-18(25)10-8-17/h7-11,13,15-16H,3-6,12,14H2,1-2H3,(H,27,28)
InChIKeyPKCOCXVTDUPXMF-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.30
Rot. Bonds11

About N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide

N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide (PubChem CID 142136956) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide
PubChem CID142136956
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide
SMILESCOc1cc2nccc(OCCCNC(=O)CCCc3ccc(F)cc3)c2cc1OC
InChIInChI=1S/C24H27FN2O4/c1-29-22-15-19-20(16-23(22)30-2)26-13-11-21(19)31-14-4-12-27-24(28)6-3-5-17-7-9-18(25)10-8-17/h7-11,13,15-16H,3-6,12,14H2,1-2H3,(H,27,28)
InChIKeyPKCOCXVTDUPXMF-UHFFFAOYSA-N
XLogP4.30
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
1-N'-(4-fluorophenyl)-1-N-[4-[6-[4-(hydroxyamino)-4-oxobutoxy]-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465938
1-N'-[3-fluoro-4-[6-methoxy-7-[4-[(2-sulfanylacetyl)amino]butoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779116
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
1-N'-(4-fluorophenyl)-1-N-[4-[7-[5-(hydroxyamino)-5-oxopentoxy]-6-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71465781
1-N'-(4-fluorophenyl)-1-N-[4-[6-[6-(hydroxyamino)-6-oxohexoxy]-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 71466000
methyl 3-[3-[4-[2-fluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-6-methoxyquinolin-7-yl]oxypropylamino]propanoate
CID 157288765
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
tert-butyl N-[3-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 89471054
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30386499

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide?
The IUPAC name of N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide (CID 142136956) is N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide is COc1cc2nccc(OCCCNC(=O)CCCc3ccc(F)cc3)c2cc1OC.
What is the InChIKey of N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide?
The InChIKey is PKCOCXVTDUPXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-29-22-15-19-20(16-23(22)30-2)26-13-11-21(19)31-14-4-12-27-24(28)6-3-5-17-7-9-18(25)10-8-17/h7-11,13,15-16H,3-6,12,14H2,1-2H3,(H,27,28).
What are the key properties of N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide?
N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide has a molecular weight of 426.49 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dimethoxyquinolin-4-yl)oxypropyl]-4-(4-fluorophenyl)butanamide is sourced from PubChem (CID 142136956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).