2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide

C36H30FN5O2 — CID 67061710

IUPAC2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide
SMILESCC(C)Nc1ncc2cc(-c3cccc(NC(=O)c4ccnc(-c5ccc(F)cc5)c4)c3)c(OCc3ccccc3)cc2n1
InChIInChI=1S/C36H30FN5O2/c1-23(2)40-36-39-21-28-18-31(34(20-33(28)42-36)44-22-24-7-4-3-5-8-24)26-9-6-10-30(17-26)41-35(43)27-15-16-38-32(19-27)25-11-13-29(37)14-12-25/h3-21,23H,22H2,1-2H3,(H,41,43)(H,39,40,42)
InChIKeyZCXUAEMDVOLQTP-UHFFFAOYSA-N
MW583.67 g/mol
LogP8.15
Rot. Bonds9

About 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide

2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide (PubChem CID 67061710) has the molecular formula C36H30FN5O2 and a molecular weight of 583.67 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide
PubChem CID67061710
Molecular FormulaC36H30FN5O2
Molecular Weight583.67 g/mol
Exact Mass583.24
IUPAC Name2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide
SMILESCC(C)Nc1ncc2cc(-c3cccc(NC(=O)c4ccnc(-c5ccc(F)cc5)c4)c3)c(OCc3ccccc3)cc2n1
InChIInChI=1S/C36H30FN5O2/c1-23(2)40-36-39-21-28-18-31(34(20-33(28)42-36)44-22-24-7-4-3-5-8-24)26-9-6-10-30(17-26)41-35(43)27-15-16-38-32(19-27)25-11-13-29(37)14-12-25/h3-21,23H,22H2,1-2H3,(H,41,43)(H,39,40,42)
InChIKeyZCXUAEMDVOLQTP-UHFFFAOYSA-N
XLogP8.15
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.67
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-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

3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide
CID 135547602
N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
CID 58768948
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
CID 141273620
3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
CID 46090638
N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
CID 102461442
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260172
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
methyl 3-[[2-[(4-fluorophenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109170694

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide (CID 67061710) is 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide is CC(C)Nc1ncc2cc(-c3cccc(NC(=O)c4ccnc(-c5ccc(F)cc5)c4)c3)c(OCc3ccccc3)cc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is ZCXUAEMDVOLQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30FN5O2/c1-23(2)40-36-39-21-28-18-31(34(20-33(28)42-36)44-22-24-7-4-3-5-8-24)26-9-6-10-30(17-26)41-35(43)27-15-16-38-32(19-27)25-11-13-29(37)14-12-25/h3-21,23H,22H2,1-2H3,(H,41,43)(H,39,40,42).
What are the key properties of 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide?
2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 583.67 g/mol, XLogP of 8.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 67061710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).