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

C16H12ClF2N3 — CID 177249429

IUPACN-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
SMILESCc1nc(NCc2ccc(Cl)cc2)c2cc(F)cc(F)c2n1
InChIInChI=1S/C16H12ClF2N3/c1-9-21-15-13(6-12(18)7-14(15)19)16(22-9)20-8-10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,20,21,22)
InChIKeyBULMNKWFBSQCCS-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.48
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine (PubChem CID 177249429) has the molecular formula C16H12ClF2N3 and a molecular weight of 319.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
PubChem CID177249429
Molecular FormulaC16H12ClF2N3
Molecular Weight319.74 g/mol
Exact Mass319.07
IUPAC NameN-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine
SMILESCc1nc(NCc2ccc(Cl)cc2)c2cc(F)cc(F)c2n1
InChIInChI=1S/C16H12ClF2N3/c1-9-21-15-13(6-12(18)7-14(15)19)16(22-9)20-8-10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,20,21,22)
InChIKeyBULMNKWFBSQCCS-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-8-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3749039
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112918052
4-N-tert-butyl-6-N-[(4-chlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872702
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 22640045

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine (CID 177249429) is N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine is Cc1nc(NCc2ccc(Cl)cc2)c2cc(F)cc(F)c2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine?
The InChIKey is BULMNKWFBSQCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3/c1-9-21-15-13(6-12(18)7-14(15)19)16(22-9)20-8-10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,20,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine?
N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine has a molecular weight of 319.74 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6,8-difluoro-2-methylquinazolin-4-amine is sourced from PubChem (CID 177249429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).