1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea

C27H26ClN5O3 — CID 155206375

IUPAC1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea
SMILESCOC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)ncnc3c2)CC1
InChIInChI=1S/C27H26ClN5O3/c1-35-22-12-14-33(15-13-22)21-8-11-24-25(16-21)29-17-30-26(24)36-23-9-6-20(7-10-23)32-27(34)31-19-4-2-18(28)3-5-19/h2-11,16-17,22H,12-15H2,1H3,(H2,31,32,34)
InChIKeyJQKCOTLZRULGMD-UHFFFAOYSA-N
MW503.99 g/mol
LogP6.33
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea

1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea (PubChem CID 155206375) has the molecular formula C27H26ClN5O3 and a molecular weight of 503.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea
PubChem CID155206375
Molecular FormulaC27H26ClN5O3
Molecular Weight503.99 g/mol
Exact Mass503.17
IUPAC Name1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea
SMILESCOC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)ncnc3c2)CC1
InChIInChI=1S/C27H26ClN5O3/c1-35-22-12-14-33(15-13-22)21-8-11-24-25(16-21)29-17-30-26(24)36-23-9-6-20(7-10-23)32-27(34)31-19-4-2-18(28)3-5-19/h2-11,16-17,22H,12-15H2,1H3,(H2,31,32,34)
InChIKeyJQKCOTLZRULGMD-UHFFFAOYSA-N
XLogP6.33
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea with MolForge

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373
1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
CID 2814126
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-[7-(3-methoxypropoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329083
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 155206361
1-[4-[7-[4-(oxetan-3-yl)piperazin-1-yl]quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206387
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
1-[(4-chlorophenyl)methyl]-3-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]urea
CID 97427698
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[7-(2-ethoxyethoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329160

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea (CID 155206375) is 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea is COC1CCN(c2ccc3c(Oc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)ncnc3c2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea?
The InChIKey is JQKCOTLZRULGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O3/c1-35-22-12-14-33(15-13-22)21-8-11-24-25(16-21)29-17-30-26(24)36-23-9-6-20(7-10-23)32-27(34)31-19-4-2-18(28)3-5-19/h2-11,16-17,22H,12-15H2,1H3,(H2,31,32,34).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea?
1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea has a molecular weight of 503.99 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 155206375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).