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

C23H21FN4O — CID 10068853

IUPAC2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3)nc(Nc3ccc(F)cc3C)nc12
InChIInChI=1S/C23H21FN4O/c1-15-14-16(24)12-13-19(15)25-23-26-21-18(10-7-11-20(21)29-3)22(27-23)28(2)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,25,26,27)
InChIKeyZMVRIVONLGVUHQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.60
Rot. Bonds5

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

2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10068853) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
PubChem CID10068853
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3)nc(Nc3ccc(F)cc3C)nc12
InChIInChI=1S/C23H21FN4O/c1-15-14-16(24)12-13-19(15)25-23-26-21-18(10-7-11-20(21)29-3)22(27-23)28(2)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,25,26,27)
InChIKeyZMVRIVONLGVUHQ-UHFFFAOYSA-N
XLogP5.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (CID 10068853) is 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccc(F)cc3C)nc12.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is ZMVRIVONLGVUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15-14-16(24)12-13-19(15)25-23-26-21-18(10-7-11-20(21)29-3)22(27-23)28(2)17-8-5-4-6-9-17/h4-14H,1-3H3,(H,25,26,27).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 388.45 g/mol, XLogP of 5.60, 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-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10068853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).