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

C28H29FN6O — CID 68941573

IUPAC4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCc1ccc2nc(N3CCN(C)CC3)nc(NCc3ccccc3NC(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C28H29FN6O/c1-19-7-12-25-23(17-19)26(33-28(32-25)35-15-13-34(2)14-16-35)30-18-21-5-3-4-6-24(21)31-27(36)20-8-10-22(29)11-9-20/h3-12,17H,13-16,18H2,1-2H3,(H,31,36)(H,30,32,33)
InChIKeyLPNZOPDJGMLRCU-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.69
Rot. Bonds6

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

4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide (PubChem CID 68941573) has the molecular formula C28H29FN6O and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
PubChem CID68941573
Molecular FormulaC28H29FN6O
Molecular Weight484.58 g/mol
Exact Mass484.24
IUPAC Name4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCc1ccc2nc(N3CCN(C)CC3)nc(NCc3ccccc3NC(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C28H29FN6O/c1-19-7-12-25-23(17-19)26(33-28(32-25)35-15-13-34(2)14-16-35)30-18-21-5-3-4-6-24(21)31-27(36)20-8-10-22(29)11-9-20/h3-12,17H,13-16,18H2,1-2H3,(H,31,36)(H,30,32,33)
InChIKeyLPNZOPDJGMLRCU-UHFFFAOYSA-N
XLogP4.69
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25024532
4-fluoro-N-[4-[[[7-methyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68943848
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylethyl)quinazolin-4-amine
CID 143828305
N-[4-[[[2-(diethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 25024736
4-methyl-N-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 3730038
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
4-methyl-N-[4-[[[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzenesulfonamide
CID 56953909
6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178345
2-[[6-iodo-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide
CID 45379922
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide (CID 68941573) is 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide is Cc1ccc2nc(N3CCN(C)CC3)nc(NCc3ccccc3NC(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The InChIKey is LPNZOPDJGMLRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O/c1-19-7-12-25-23(17-19)26(33-28(32-25)35-15-13-34(2)14-16-35)30-18-21-5-3-4-6-24(21)31-27(36)20-8-10-22(29)11-9-20/h3-12,17H,13-16,18H2,1-2H3,(H,31,36)(H,30,32,33).
What are the key properties of 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide has a molecular weight of 484.58 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[[6-methyl-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 68941573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).