N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine

C15H10ClF2N3 — CID 177249446

IUPACN-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine
SMILESFc1cc(F)c2ncnc(NCc3ccccc3Cl)c2c1
InChIInChI=1S/C15H10ClF2N3/c16-12-4-2-1-3-9(12)7-19-15-11-5-10(17)6-13(18)14(11)20-8-21-15/h1-6,8H,7H2,(H,19,20,21)
InChIKeyOZNFIJBWKMBRKA-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.17
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine

N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine (PubChem CID 177249446) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine
PubChem CID177249446
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC NameN-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine
SMILESFc1cc(F)c2ncnc(NCc3ccccc3Cl)c2c1
InChIInChI=1S/C15H10ClF2N3/c16-12-4-2-1-3-9(12)7-19-15-11-5-10(17)6-13(18)14(11)20-8-21-15/h1-6,8H,7H2,(H,19,20,21)
InChIKeyOZNFIJBWKMBRKA-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine (CID 177249446) is N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine is Fc1cc(F)c2ncnc(NCc3ccccc3Cl)c2c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine?
The InChIKey is OZNFIJBWKMBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c16-12-4-2-1-3-9(12)7-19-15-11-5-10(17)6-13(18)14(11)20-8-21-15/h1-6,8H,7H2,(H,19,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine?
N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine has a molecular weight of 305.72 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6,8-difluoroquinazolin-4-amine is sourced from PubChem (CID 177249446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).