2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine

C20H17F3N4 — CID 90369448

IUPAC2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
SMILESFC(F)(F)c1cccc(NC2=NC(C3=CNCC=C3)Nc3ccccc32)c1
InChIInChI=1S/C20H17F3N4/c21-20(22,23)14-6-3-7-15(11-14)25-19-16-8-1-2-9-17(16)26-18(27-19)13-5-4-10-24-12-13/h1-9,11-12,18,24,26H,10H2,(H,25,27)
InChIKeyLWKAZTAUEVNTPX-UHFFFAOYSA-N
MW370.38 g/mol
LogP4.36
Rot. Bonds2

About 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine

2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine (PubChem CID 90369448) has the molecular formula C20H17F3N4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
PubChem CID90369448
Molecular FormulaC20H17F3N4
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
SMILESFC(F)(F)c1cccc(NC2=NC(C3=CNCC=C3)Nc3ccccc32)c1
InChIInChI=1S/C20H17F3N4/c21-20(22,23)14-6-3-7-15(11-14)25-19-16-8-1-2-9-17(16)26-18(27-19)13-5-4-10-24-12-13/h1-9,11-12,18,24,26H,10H2,(H,25,27)
InChIKeyLWKAZTAUEVNTPX-UHFFFAOYSA-N
XLogP4.36
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine (CID 90369448) is 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine is FC(F)(F)c1cccc(NC2=NC(C3=CNCC=C3)Nc3ccccc32)c1.
What is the InChIKey of 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
The InChIKey is LWKAZTAUEVNTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4/c21-20(22,23)14-6-3-7-15(11-14)25-19-16-8-1-2-9-17(16)26-18(27-19)13-5-4-10-24-12-13/h1-9,11-12,18,24,26H,10H2,(H,25,27).
What are the key properties of 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine has a molecular weight of 370.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 90369448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).