N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine

C20H21F3N4 — CID 135128128

IUPACN-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine
SMILESCNc1nc(C2CC=CNC2)nc2c1=CCC(C1=CC(F)C(F)C=C1F)C=2
InChIInChI=1S/C20H21F3N4/c1-24-20-13-5-4-11(14-8-16(22)17(23)9-15(14)21)7-18(13)26-19(27-20)12-3-2-6-25-10-12/h2,5-9,11-12,16-17,25H,3-4,10H2,1H3,(H,24,26,27)
InChIKeyUVRODURKTTWCOE-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.16
Rot. Bonds3

About N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine

N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine (PubChem CID 135128128) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine
PubChem CID135128128
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC NameN-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine
SMILESCNc1nc(C2CC=CNC2)nc2c1=CCC(C1=CC(F)C(F)C=C1F)C=2
InChIInChI=1S/C20H21F3N4/c1-24-20-13-5-4-11(14-8-16(22)17(23)9-15(14)21)7-18(13)26-19(27-20)12-3-2-6-25-10-12/h2,5-9,11-12,16-17,25H,3-4,10H2,1H3,(H,24,26,27)
InChIKeyUVRODURKTTWCOE-UHFFFAOYSA-N
XLogP2.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
The IUPAC name of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine (CID 135128128) is N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
The canonical SMILES for N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine is CNc1nc(C2CC=CNC2)nc2c1=CCC(C1=CC(F)C(F)C=C1F)C=2.
What is the InChIKey of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
The InChIKey is UVRODURKTTWCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c1-24-20-13-5-4-11(14-8-16(22)17(23)9-15(14)21)7-18(13)26-19(27-20)12-3-2-6-25-10-12/h2,5-9,11-12,16-17,25H,3-4,10H2,1H3,(H,24,26,27).
What are the key properties of N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine?
N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine has a molecular weight of 374.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,3,4-tetrahydropyridin-3-yl)-7-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)-6,7-dihydroquinazolin-4-amine is sourced from PubChem (CID 135128128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).