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

C25H23N3O5 — CID 11247801

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(13-19)28-25(29)27-16-7-9-18(10-8-16)33-22-11-12-26-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,27,28,29)
InChIKeyQNGPPKUKJPRKAA-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.70
Rot. Bonds7

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

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea (PubChem CID 11247801) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea
PubChem CID11247801
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1
InChIInChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(13-19)28-25(29)27-16-7-9-18(10-8-16)33-22-11-12-26-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,27,28,29)
InChIKeyQNGPPKUKJPRKAA-UHFFFAOYSA-N
XLogP5.70
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3-methoxyphenyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea (CID 11247801) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)c1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is QNGPPKUKJPRKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(13-19)28-25(29)27-16-7-9-18(10-8-16)33-22-11-12-26-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,27,28,29).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 445.48 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 11247801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).