4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline

C23H22F3N3O — CID 10295220

IUPAC4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline
SMILESCOc1ncnc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc12
InChIInChI=1S/C23H22F3N3O/c1-30-22-20-13-16(5-6-21(20)27-15-28-22)7-10-29-11-8-17(9-12-29)18-3-2-4-19(14-18)23(24,25)26/h2-6,8,13-15H,7,9-12H2,1H3
InChIKeyPMCNPOGZWFEUFF-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.99
Rot. Bonds5

About 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline

4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline (PubChem CID 10295220) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline.

Molecular Properties

Compound Name4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline
PubChem CID10295220
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC Name4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline
SMILESCOc1ncnc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc12
InChIInChI=1S/C23H22F3N3O/c1-30-22-20-13-16(5-6-21(20)27-15-28-22)7-10-29-11-8-17(9-12-29)18-3-2-4-19(14-18)23(24,25)26/h2-6,8,13-15H,7,9-12H2,1H3
InChIKeyPMCNPOGZWFEUFF-UHFFFAOYSA-N
XLogP4.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline?
The IUPAC name of 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline (CID 10295220) is 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline.
What is the SMILES notation for 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline?
The canonical SMILES for 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline is COc1ncnc2ccc(CCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)cc12.
What is the InChIKey of 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline?
The InChIKey is PMCNPOGZWFEUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-30-22-20-13-16(5-6-21(20)27-15-28-22)7-10-29-11-8-17(9-12-29)18-3-2-4-19(14-18)23(24,25)26/h2-6,8,13-15H,7,9-12H2,1H3.
What are the key properties of 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline?
4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline has a molecular weight of 413.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[2-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]quinazoline is sourced from PubChem (CID 10295220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).