6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C35H33F3N4O4 — CID 143083849

IUPAC6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1c(NC(=O)c2cccc3cc(Oc4ncnc5cc(OCCCN6CCCCC6)c(O)cc45)ccc23)cccc1C(F)(F)F
InChIInChI=1S/C35H33F3N4O4/c1-22-28(35(36,37)38)10-6-11-29(22)41-33(44)26-9-5-8-23-18-24(12-13-25(23)26)46-34-27-19-31(43)32(20-30(27)39-21-40-34)45-17-7-16-42-14-3-2-4-15-42/h5-6,8-13,18-21,43H,2-4,7,14-17H2,1H3,(H,41,44)
InChIKeyWPFYWCJPIOVLJH-UHFFFAOYSA-N
MW630.67 g/mol
LogP8.12
Rot. Bonds9

About 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 143083849) has the molecular formula C35H33F3N4O4 and a molecular weight of 630.67 g/mol. Its IUPAC name is 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID143083849
Molecular FormulaC35H33F3N4O4
Molecular Weight630.67 g/mol
Exact Mass630.25
IUPAC Name6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESCc1c(NC(=O)c2cccc3cc(Oc4ncnc5cc(OCCCN6CCCCC6)c(O)cc45)ccc23)cccc1C(F)(F)F
InChIInChI=1S/C35H33F3N4O4/c1-22-28(35(36,37)38)10-6-11-29(22)41-33(44)26-9-5-8-23-18-24(12-13-25(23)26)46-34-27-19-31(43)32(20-30(27)39-21-40-34)45-17-7-16-42-14-3-2-4-15-42/h5-6,8-13,18-21,43H,2-4,7,14-17H2,1H3,(H,41,44)
InChIKeyWPFYWCJPIOVLJH-UHFFFAOYSA-N
XLogP8.12
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.67
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide 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

4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
N-{4-[(7-Hydroxy-6-Methoxyquinazolin-4-Yl)amino]phenyl}benzamide
CID 135566704
[4-(6,7-Dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
CID 137333966
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 11156617
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 24822428
N-(3-methoxyphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 57396557
N-Cyclopropyl-6-[(6,7-dimethoxy-4-quinazolinyl)oxy]-1-naphthalenecarboxamide
CID 24823093
6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-1-naphthalenecarboxamide
CID 24823094
6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N-(2-methoxyethyl)-1-naphthalenecarboxamide
CID 24823252
N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824186
US9730937, Example 181
CID 56679129
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(3-methoxyphenyl)acetamide
CID 57401805

Frequently Asked Questions

What is the IUPAC name of 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 143083849) is 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is Cc1c(NC(=O)c2cccc3cc(Oc4ncnc5cc(OCCCN6CCCCC6)c(O)cc45)ccc23)cccc1C(F)(F)F.
What is the InChIKey of 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is WPFYWCJPIOVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N4O4/c1-22-28(35(36,37)38)10-6-11-29(22)41-33(44)26-9-5-8-23-18-24(12-13-25(23)26)46-34-27-19-31(43)32(20-30(27)39-21-40-34)45-17-7-16-42-14-3-2-4-15-42/h5-6,8-13,18-21,43H,2-4,7,14-17H2,1H3,(H,41,44).
What are the key properties of 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 630.67 g/mol, XLogP of 8.12, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-hydroxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxy-N-[2-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 143083849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).