4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide

C24H21FN4O2 — CID 174524895

IUPAC4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)ccc1F
InChIInChI=1S/C24H21FN4O2/c1-14-4-6-18(28-23(30)16-5-8-20(25)15(2)10-16)12-22(14)27-17-7-9-21-19(11-17)24(31)29(3)13-26-21/h4-13,27H,1-3H3,(H,28,30)
InChIKeyMIOLEIQYEAOKEU-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.69
Rot. Bonds4

About 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide

4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide (PubChem CID 174524895) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
PubChem CID174524895
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)ccc1F
InChIInChI=1S/C24H21FN4O2/c1-14-4-6-18(28-23(30)16-5-8-20(25)15(2)10-16)12-22(14)27-17-7-9-21-19(11-17)24(31)29(3)13-26-21/h4-13,27H,1-3H3,(H,28,30)
InChIKeyMIOLEIQYEAOKEU-UHFFFAOYSA-N
XLogP4.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174524883
N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]-4-phenyl-2-(trifluoromethyl)-1H-imidazole-5-carboxamide
CID 46229583
3-(2-cyanopropan-2-yl)-5-[(dimethylamino)methyl]-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
CID 11598660
2-[(3-methyl-4-oxoquinazolin-6-yl)amino]benzamide
CID 175986864
[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
CID 137353520
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
N-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132492
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
1-(4-fluorophenyl)-N-[4-methyl-3-(3-methyl-4-oxoquinazolin-6-yl)oxyphenyl]-5-methylsulfanylpyrazole-3-carboxamide
CID 166467990
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide (CID 174524895) is 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide?
The InChIKey is MIOLEIQYEAOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-14-4-6-18(28-23(30)16-5-8-20(25)15(2)10-16)12-22(14)27-17-7-9-21-19(11-17)24(31)29(3)13-26-21/h4-13,27H,1-3H3,(H,28,30).
What are the key properties of 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide?
4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide is sourced from PubChem (CID 174524895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).