2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine

C24H23FN4O — CID 10318929

IUPAC2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12
InChIInChI=1S/C24H23FN4O/c1-15-8-5-6-10-20(15)29(3)23-18-9-7-11-21(30-4)22(18)27-24(28-23)26-19-13-12-17(25)14-16(19)2/h5-14H,1-4H3,(H,26,27,28)
InChIKeyDWHCDLUAZMCOJR-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.91
Rot. Bonds5

About 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine

2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 10318929) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID10318929
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12
InChIInChI=1S/C24H23FN4O/c1-15-8-5-6-10-20(15)29(3)23-18-9-7-11-21(30-4)22(18)27-24(28-23)26-19-13-12-17(25)14-16(19)2/h5-14H,1-4H3,(H,26,27,28)
InChIKeyDWHCDLUAZMCOJR-UHFFFAOYSA-N
XLogP5.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine 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

Verubulin
CID 11414799
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
8-Methoxyquinolin-2-amine
CID 22266820
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N-(8-ethoxy-4-methylquinazolin-2-yl)guanidine
CID 2840092
CID 2952997
CID 2952997
Vuf5574
CID 4046493
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 10318929) is 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine is COc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is DWHCDLUAZMCOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-15-8-5-6-10-20(15)29(3)23-18-9-7-11-21(30-4)22(18)27-24(28-23)26-19-13-12-17(25)14-16(19)2/h5-14H,1-4H3,(H,26,27,28).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 402.47 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10318929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).