2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine

C22H18F2N4 — CID 133414736

IUPAC2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine
SMILESCc1cccc(C(Nc2nc(C(F)F)nc3ccccc23)c2ccccn2)c1
InChIInChI=1S/C22H18F2N4/c1-14-7-6-8-15(13-14)19(18-11-4-5-12-25-18)27-21-16-9-2-3-10-17(16)26-22(28-21)20(23)24/h2-13,19-20H,1H3,(H,26,27,28)
InChIKeyAENLDCAPSWSUTQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.47
Rot. Bonds5

About 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine

2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine (PubChem CID 133414736) has the molecular formula C22H18F2N4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine
PubChem CID133414736
Molecular FormulaC22H18F2N4
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine
SMILESCc1cccc(C(Nc2nc(C(F)F)nc3ccccc23)c2ccccn2)c1
InChIInChI=1S/C22H18F2N4/c1-14-7-6-8-15(13-14)19(18-11-4-5-12-25-18)27-21-16-9-2-3-10-17(16)26-22(28-21)20(23)24/h2-13,19-20H,1H3,(H,26,27,28)
InChIKeyAENLDCAPSWSUTQ-UHFFFAOYSA-N
XLogP5.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669
N-methyl-2-(3-methylphenyl)-2-pyridin-2-ylethanamine
CID 116824646
(2R)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122050851
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133414877
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
3-bromo-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414684
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
5-methyl-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414822
2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
CID 133367596
[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133414635

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine (CID 133414736) is 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine is Cc1cccc(C(Nc2nc(C(F)F)nc3ccccc23)c2ccccn2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine?
The InChIKey is AENLDCAPSWSUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4/c1-14-7-6-8-15(13-14)19(18-11-4-5-12-25-18)27-21-16-9-2-3-10-17(16)26-22(28-21)20(23)24/h2-13,19-20H,1H3,(H,26,27,28).
What are the key properties of 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine?
2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine has a molecular weight of 376.41 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine is sourced from PubChem (CID 133414736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).