2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine

C19H17F3N4O — CID 37203435

IUPAC2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)nc2ccccc12
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)27-13-7-8-16-12(10-13)4-3-9-26(16)11-17-24-15-6-2-1-5-14(15)18(23)25-17/h1-2,5-8,10H,3-4,9,11H2,(H2,23,24,25)
InChIKeyUSNKKDNBBVCSOP-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.06
Rot. Bonds3

About 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine

2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine (PubChem CID 37203435) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine
PubChem CID37203435
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)nc2ccccc12
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)27-13-7-8-16-12(10-13)4-3-9-26(16)11-17-24-15-6-2-1-5-14(15)18(23)25-17/h1-2,5-8,10H,3-4,9,11H2,(H2,23,24,25)
InChIKeyUSNKKDNBBVCSOP-UHFFFAOYSA-N
XLogP4.06
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine (CID 37203435) is 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)nc2ccccc12.
What is the InChIKey of 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is USNKKDNBBVCSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)27-13-7-8-16-12(10-13)4-3-9-26(16)11-17-24-15-6-2-1-5-14(15)18(23)25-17/h1-2,5-8,10H,3-4,9,11H2,(H2,23,24,25).
What are the key properties of 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine?
2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 374.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 37203435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).