4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide

C32H30FN7O — CID 25024532

IUPAC4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCc1ccc2nc(N3CCN(c4ccccn4)CC3)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1
InChIInChI=1S/C32H30FN7O/c1-22-5-14-28-27(20-22)30(38-32(37-28)40-18-16-39(17-19-40)29-4-2-3-15-34-29)35-21-23-6-12-26(13-7-23)36-31(41)24-8-10-25(33)11-9-24/h2-15,20H,16-19,21H2,1H3,(H,36,41)(H,35,37,38)
InChIKeyLTDNDPOPENPEAP-UHFFFAOYSA-N
MW547.64 g/mol
LogP5.66
Rot. Bonds7

About 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide

4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide (PubChem CID 25024532) has the molecular formula C32H30FN7O and a molecular weight of 547.64 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
PubChem CID25024532
Molecular FormulaC32H30FN7O
Molecular Weight547.64 g/mol
Exact Mass547.25
IUPAC Name4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCc1ccc2nc(N3CCN(c4ccccn4)CC3)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1
InChIInChI=1S/C32H30FN7O/c1-22-5-14-28-27(20-22)30(38-32(37-28)40-18-16-39(17-19-40)29-4-2-3-15-34-29)35-21-23-6-12-26(13-7-23)36-31(41)24-8-10-25(33)11-9-24/h2-15,20H,16-19,21H2,1H3,(H,36,41)(H,35,37,38)
InChIKeyLTDNDPOPENPEAP-UHFFFAOYSA-N
XLogP5.66
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.64
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide 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-fluoro-N-[4-[[[7-methyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68943848
4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68941573
N-[4-[[[2-(diethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 25024736
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
5-[(4-methylbenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363067
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25025710
N-[4-[[[2-(diethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 68945794
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide (CID 25024532) is 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide is Cc1ccc2nc(N3CCN(c4ccccn4)CC3)nc(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2c1.
What is the InChIKey of 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The InChIKey is LTDNDPOPENPEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN7O/c1-22-5-14-28-27(20-22)30(38-32(37-28)40-18-16-39(17-19-40)29-4-2-3-15-34-29)35-21-23-6-12-26(13-7-23)36-31(41)24-8-10-25(33)11-9-24/h2-15,20H,16-19,21H2,1H3,(H,36,41)(H,35,37,38).
What are the key properties of 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide has a molecular weight of 547.64 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 25024532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).