5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine

C19H19F2N3O — CID 59223002

IUPAC5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cc(C)c(CCNc2ncnc3c(F)ccc(F)c23)cc1C
InChIInChI=1S/C19H19F2N3O/c1-11-9-16(25-3)12(2)8-13(11)6-7-22-19-17-14(20)4-5-15(21)18(17)23-10-24-19/h4-5,8-10H,6-7H2,1-3H3,(H,22,23,24)
InChIKeyPVVUIADPXIDTIA-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.19
Rot. Bonds5

About 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine

5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine (PubChem CID 59223002) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine
PubChem CID59223002
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cc(C)c(CCNc2ncnc3c(F)ccc(F)c23)cc1C
InChIInChI=1S/C19H19F2N3O/c1-11-9-16(25-3)12(2)8-13(11)6-7-22-19-17-14(20)4-5-15(21)18(17)23-10-24-19/h4-5,8-10H,6-7H2,1-3H3,(H,22,23,24)
InChIKeyPVVUIADPXIDTIA-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine (CID 59223002) is 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine is COc1cc(C)c(CCNc2ncnc3c(F)ccc(F)c23)cc1C.
What is the InChIKey of 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is PVVUIADPXIDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-11-9-16(25-3)12(2)8-13(11)6-7-22-19-17-14(20)4-5-15(21)18(17)23-10-24-19/h4-5,8-10H,6-7H2,1-3H3,(H,22,23,24).
What are the key properties of 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine?
5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 343.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 59223002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).