N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine

C24H23FN4O — CID 56959622

IUPACN-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C24H23FN4O/c1-29(2)16-15-26-24-27-22-6-4-3-5-21(22)23(28-24)17-7-11-19(12-8-17)30-20-13-9-18(25)10-14-20/h3-14H,15-16H2,1-2H3,(H,26,27,28)
InChIKeyJWSPPXVZTUCCFG-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.20
Rot. Bonds7

About N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 56959622) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID56959622
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
InChIInChI=1S/C24H23FN4O/c1-29(2)16-15-26-24-27-22-6-4-3-5-21(22)23(28-24)17-7-11-19(12-8-17)30-20-13-9-18(25)10-14-20/h3-14H,15-16H2,1-2H3,(H,26,27,28)
InChIKeyJWSPPXVZTUCCFG-UHFFFAOYSA-N
XLogP5.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 56959622) is N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JWSPPXVZTUCCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-29(2)16-15-26-24-27-22-6-4-3-5-21(22)23(28-24)17-7-11-19(12-8-17)30-20-13-9-18(25)10-14-20/h3-14H,15-16H2,1-2H3,(H,26,27,28).
What are the key properties of N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 402.47 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 56959622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).