N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide

C28H24FN3O4 — CID 58272524

IUPACN-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide
SMILESO=CNc1cc2c(Oc3ccc(CC(=O)CC4CC4)c(F)c3)ccnc2cc1OCc1ccccn1
InChIInChI=1S/C28H24FN3O4/c29-24-13-22(7-6-19(24)12-21(34)11-18-4-5-18)36-27-8-10-31-25-15-28(26(32-17-33)14-23(25)27)35-16-20-3-1-2-9-30-20/h1-3,6-10,13-15,17-18H,4-5,11-12,16H2,(H,32,33)
InChIKeyFKNZBCHKUZQVAO-UHFFFAOYSA-N
MW485.52 g/mol
LogP5.62
Rot. Bonds11

About N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide

N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide (PubChem CID 58272524) has the molecular formula C28H24FN3O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide.

Molecular Properties

Compound NameN-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide
PubChem CID58272524
Molecular FormulaC28H24FN3O4
Molecular Weight485.52 g/mol
Exact Mass485.18
IUPAC NameN-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide
SMILESO=CNc1cc2c(Oc3ccc(CC(=O)CC4CC4)c(F)c3)ccnc2cc1OCc1ccccn1
InChIInChI=1S/C28H24FN3O4/c29-24-13-22(7-6-19(24)12-21(34)11-18-4-5-18)36-27-8-10-31-25-15-28(26(32-17-33)14-23(25)27)35-16-20-3-1-2-9-30-20/h1-3,6-10,13-15,17-18H,4-5,11-12,16H2,(H,32,33)
InChIKeyFKNZBCHKUZQVAO-UHFFFAOYSA-N
XLogP5.62
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(2S)-2,3-dihydroxypropoxy]quinolin-6-yl]formamide
CID 58272929
N-[4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-6-yl]formamide
CID 58272638
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272228
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-7-methyl-N-pyridin-2-ylquinoline-6-carboxamide
CID 58272647
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-1-(2-methylphenyl)-4-sulfanylidenepentan-2-one
CID 58249486
1-(2,4-difluorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-sulfanylidenepentan-2-one
CID 58249610
1-cyclopropyl-3-[2-fluoro-4-[(6-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]propan-2-one
CID 58272433
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-ethyl-7-methylquinoline-6-carboxamide
CID 58272742
N-cyclopropylformamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]formamide;1,1-dimethylcyclopropane
CID 178037456
4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoroaniline;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(pyridin-2-ylmethyl)urea
CID 70204498
1-[4-(6-amino-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272950
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(1,3-dihydroxypropan-2-yl)-7-methylquinoline-6-carboxamide
CID 58272388

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide?
The IUPAC name of N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide (CID 58272524) is N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide.
What is the SMILES notation for N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide?
The canonical SMILES for N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide is O=CNc1cc2c(Oc3ccc(CC(=O)CC4CC4)c(F)c3)ccnc2cc1OCc1ccccn1.
What is the InChIKey of N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide?
The InChIKey is FKNZBCHKUZQVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4/c29-24-13-22(7-6-19(24)12-21(34)11-18-4-5-18)36-27-8-10-31-25-15-28(26(32-17-33)14-23(25)27)35-16-20-3-1-2-9-30-20/h1-3,6-10,13-15,17-18H,4-5,11-12,16H2,(H,32,33).
What are the key properties of N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide?
N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide has a molecular weight of 485.52 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyclopropyl-2-oxopropyl)-3-fluorophenoxy]-7-(pyridin-2-ylmethoxy)quinolin-6-yl]formamide is sourced from PubChem (CID 58272524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).