N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine

C17H15F2N3O — CID 11197822

IUPACN-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine
SMILESCc1nc(N(C)c2ccc(OC(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C17H15F2N3O/c1-11-20-15-6-4-3-5-14(15)16(21-11)22(2)12-7-9-13(10-8-12)23-17(18)19/h3-10,17H,1-2H3
InChIKeyGRXFCMYNVMQAGT-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.31
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine

N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine (PubChem CID 11197822) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine
PubChem CID11197822
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine
SMILESCc1nc(N(C)c2ccc(OC(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C17H15F2N3O/c1-11-20-15-6-4-3-5-14(15)16(21-11)22(2)12-7-9-13(10-8-12)23-17(18)19/h3-10,17H,1-2H3
InChIKeyGRXFCMYNVMQAGT-UHFFFAOYSA-N
XLogP4.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine (CID 11197822) is N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine is Cc1nc(N(C)c2ccc(OC(F)F)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine?
The InChIKey is GRXFCMYNVMQAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-11-20-15-6-4-3-5-14(15)16(21-11)22(2)12-7-9-13(10-8-12)23-17(18)19/h3-10,17H,1-2H3.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine?
N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine has a molecular weight of 315.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11197822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).