6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine

C17H16N4 — CID 56864814

IUPAC6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccc4c3CCNC4)cc12
InChIInChI=1S/C17H16N4/c18-17-15-8-11(4-5-16(15)20-10-21-17)13-3-1-2-12-9-19-7-6-14(12)13/h1-5,8,10,19H,6-7,9H2,(H2,18,20,21)
InChIKeyBRLJJAGWTAJWFI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.52
Rot. Bonds1

About 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine

6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine (PubChem CID 56864814) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine
PubChem CID56864814
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccc4c3CCNC4)cc12
InChIInChI=1S/C17H16N4/c18-17-15-8-11(4-5-16(15)20-10-21-17)13-3-1-2-12-9-19-7-6-14(12)13/h1-5,8,10,19H,6-7,9H2,(H2,18,20,21)
InChIKeyBRLJJAGWTAJWFI-UHFFFAOYSA-N
XLogP2.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
CID 56865850
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
5-pyrimidin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 146399003
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094988
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
4-[6-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrimidin-4-yl]morpholine
CID 56861201
6-(5-methyl-1H-imidazol-4-yl)quinazolin-4-amine
CID 139454419
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine?
The IUPAC name of 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine (CID 56864814) is 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine?
The canonical SMILES for 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine is Nc1ncnc2ccc(-c3cccc4c3CCNC4)cc12.
What is the InChIKey of 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine?
The InChIKey is BRLJJAGWTAJWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-17-15-8-11(4-5-16(15)20-10-21-17)13-3-1-2-12-9-19-7-6-14(12)13/h1-5,8,10,19H,6-7,9H2,(H2,18,20,21).
What are the key properties of 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine?
6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine is sourced from PubChem (CID 56864814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).