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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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).