1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea

C24H21N3O4 — CID 11292923

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-22-14-19-20(15-23(22)30-2)25-13-12-21(19)31-18-10-8-17(9-11-18)27-24(28)26-16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,26,27,28)
InChIKeyDRBIGHXBYOJZLO-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.69
Rot. Bonds6

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea (PubChem CID 11292923) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea
PubChem CID11292923
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-22-14-19-20(15-23(22)30-2)25-13-12-21(19)31-18-10-8-17(9-11-18)27-24(28)26-16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,26,27,28)
InChIKeyDRBIGHXBYOJZLO-UHFFFAOYSA-N
XLogP5.69
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cabozantinib
CID 25102847
Foretinib
CID 42642645
Lucitanib
CID 25031915
Anlotinib
CID 25017411
N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 11441375
Cep-40783
CID 71576419
Src Kinase Inhibitor I
CID 1474853
3-{4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1-(2-phenylacetyl)thiourea
CID 9870238
N-(4-Chlorophenyl)-7-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-2,3-Dihydro-1,4-Benzoxazine-4-Carboxamide
CID 11375301
N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-5-methyl-3-oxo-2-phenyl-1-propyl-2,3-dihydro-1H-pyrazole-4-carboxamide
CID 11963059
1-Imidazolidinecarboxamide, N-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluorophenyl]-2-oxo-3-phenyl-
CID 23652906
N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
CID 24901691

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea (CID 11292923) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea is COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea?
The InChIKey is DRBIGHXBYOJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-22-14-19-20(15-23(22)30-2)25-13-12-21(19)31-18-10-8-17(9-11-18)27-24(28)26-16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,26,27,28).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea has a molecular weight of 415.45 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-phenylurea is sourced from PubChem (CID 11292923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).