N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine

C20H14F2N4 — CID 162625953

IUPACN-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine
SMILESCc1nc(Nc2ccc(-c3cccc(F)c3F)cn2)c2ccccc2n1
InChIInChI=1S/C20H14F2N4/c1-12-24-17-8-3-2-5-15(17)20(25-12)26-18-10-9-13(11-23-18)14-6-4-7-16(21)19(14)22/h2-11H,1H3,(H,23,24,25,26)
InChIKeyWRLNPNLXSHKODA-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.02
Rot. Bonds3

About N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine

N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine (PubChem CID 162625953) has the molecular formula C20H14F2N4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine
PubChem CID162625953
Molecular FormulaC20H14F2N4
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine
SMILESCc1nc(Nc2ccc(-c3cccc(F)c3F)cn2)c2ccccc2n1
InChIInChI=1S/C20H14F2N4/c1-12-24-17-8-3-2-5-15(17)20(25-12)26-18-10-9-13(11-23-18)14-6-4-7-16(21)19(14)22/h2-11H,1H3,(H,23,24,25,26)
InChIKeyWRLNPNLXSHKODA-UHFFFAOYSA-N
XLogP5.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1,6-naphthyridin-5-amine
CID 162629816
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-1,3-thiazol-4-amine
CID 162633744
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-5-fluoro-2-methylbenzenesulfonamide
CID 69069595
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
[2-(2,3-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62661816
5-(2,3-difluorophenyl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 162637331
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
3,5-bis(2,3-difluorophenyl)pyridin-2-amine
CID 133086642
5-(2,3-difluorophenyl)quinoline
CID 167880208
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine?
The IUPAC name of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine (CID 162625953) is N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine is Cc1nc(Nc2ccc(-c3cccc(F)c3F)cn2)c2ccccc2n1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine?
The InChIKey is WRLNPNLXSHKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4/c1-12-24-17-8-3-2-5-15(17)20(25-12)26-18-10-9-13(11-23-18)14-6-4-7-16(21)19(14)22/h2-11H,1H3,(H,23,24,25,26).
What are the key properties of N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine?
N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine has a molecular weight of 348.36 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-2-pyridinyl]-2-methylquinazolin-4-amine is sourced from PubChem (CID 162625953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).