1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea

C25H24N4O4 — CID 11626442

IUPAC1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NCCc4ccccc4)nc3)c2cc1OC
InChIInChI=1S/C25H24N4O4/c1-31-22-14-19-20(15-23(22)32-2)26-13-11-21(19)33-18-8-9-24(28-16-18)29-25(30)27-12-10-17-6-4-3-5-7-17/h3-9,11,13-16H,10,12H2,1-2H3,(H2,27,28,29,30)
InChIKeyPZWAFATUEHSEFY-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.80
Rot. Bonds8

About 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea

1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea (PubChem CID 11626442) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
PubChem CID11626442
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NCCc4ccccc4)nc3)c2cc1OC
InChIInChI=1S/C25H24N4O4/c1-31-22-14-19-20(15-23(22)32-2)26-13-11-21(19)33-18-8-9-24(28-16-18)29-25(30)27-12-10-17-6-4-3-5-7-17/h3-9,11,13-16H,10,12H2,1-2H3,(H2,27,28,29,30)
InChIKeyPZWAFATUEHSEFY-UHFFFAOYSA-N
XLogP4.80
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

S-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]ethylcarbamoylamino] 2-phenylcyclopropane-1-carbothioate
CID 91524760
4-[[6-[(2-chloroacetyl)carbamoylamino]-3-pyridinyl]oxy]-6-methoxyquinoline-7-carbothioic S-acid
CID 143152221
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2,5-dioxo-1-(3-phenylpropyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 121361552
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
CID 122633132
(2Z)-N-(2-chlorophenyl)-N'-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-ethylidenepropanediamide
CID 143321266
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3,3-dimethylbutyl)urea;hydrochloride
CID 23022726
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
CID 90768602
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea (CID 11626442) is 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea is COc1cc2nccc(Oc3ccc(NC(=O)NCCc4ccccc4)nc3)c2cc1OC.
What is the InChIKey of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea?
The InChIKey is PZWAFATUEHSEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-31-22-14-19-20(15-23(22)32-2)26-13-11-21(19)33-18-8-9-24(28-16-18)29-25(30)27-12-10-17-6-4-3-5-7-17/h3-9,11,13-16H,10,12H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea?
1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea has a molecular weight of 444.49 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 11626442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).