2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline

C17H15N3O — CID 114789583

IUPAC2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline
SMILESc1cc2c(c(Oc3ncc4ccccc4n3)c1)NCCC2
InChIInChI=1S/C17H15N3O/c1-2-8-14-13(5-1)11-19-17(20-14)21-15-9-3-6-12-7-4-10-18-16(12)15/h1-3,5-6,8-9,11,18H,4,7,10H2
InChIKeyPPWIIRQIJZVLAU-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.78
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline

2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline (PubChem CID 114789583) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline
PubChem CID114789583
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline
SMILESc1cc2c(c(Oc3ncc4ccccc4n3)c1)NCCC2
InChIInChI=1S/C17H15N3O/c1-2-8-14-13(5-1)11-19-17(20-14)21-15-9-3-6-12-7-4-10-18-16(12)15/h1-3,5-6,8-9,11,18H,4,7,10H2
InChIKeyPPWIIRQIJZVLAU-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile
CID 107552899
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline
CID 105363136
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
8-[(5-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 54907879
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 107875268
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 103582950
2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
CID 61025387

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline (CID 114789583) is 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline is c1cc2c(c(Oc3ncc4ccccc4n3)c1)NCCC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline?
The InChIKey is PPWIIRQIJZVLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-8-14-13(5-1)11-19-17(20-14)21-15-9-3-6-12-7-4-10-18-16(12)15/h1-3,5-6,8-9,11,18H,4,7,10H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline?
2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline has a molecular weight of 277.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline is sourced from PubChem (CID 114789583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).