N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine

C20H14F2N4O — CID 70789701

IUPACN-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine
SMILESCOc1cnccc1-c1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C20H14F2N4O/c1-27-18-11-23-9-8-14(18)20-25-17-5-3-2-4-13(17)19(26-20)24-12-6-7-15(21)16(22)10-12/h2-11H,1H3,(H,24,25,26)
InChIKeyFOLVYASLJULEMY-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.72
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine

N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine (PubChem CID 70789701) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine
PubChem CID70789701
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC NameN-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine
SMILESCOc1cnccc1-c1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1
InChIInChI=1S/C20H14F2N4O/c1-27-18-11-23-9-8-14(18)20-25-17-5-3-2-4-13(17)19(26-20)24-12-6-7-15(21)16(22)10-12/h2-11H,1H3,(H,24,25,26)
InChIKeyFOLVYASLJULEMY-UHFFFAOYSA-N
XLogP4.72
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine (CID 70789701) is N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine is COc1cnccc1-c1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine?
The InChIKey is FOLVYASLJULEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c1-27-18-11-23-9-8-14(18)20-25-17-5-3-2-4-13(17)19(26-20)24-12-6-7-15(21)16(22)10-12/h2-11H,1H3,(H,24,25,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine?
N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine has a molecular weight of 364.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3-methoxy-4-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 70789701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).