6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine

C17H17N5 — CID 90680235

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(N3CCc4ccccc4C3)ccc2n1
InChIInChI=1S/C17H17N5/c18-16-14-9-13(5-6-15(14)20-17(19)21-16)22-8-7-11-3-1-2-4-12(11)10-22/h1-6,9H,7-8,10H2,(H4,18,19,20,21)
InChIKeyGMLLQTGJSUMGPA-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.36
Rot. Bonds1

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine

6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine (PubChem CID 90680235) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
PubChem CID90680235
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(N3CCc4ccccc4C3)ccc2n1
InChIInChI=1S/C17H17N5/c18-16-14-9-13(5-6-15(14)20-17(19)21-16)22-8-7-11-3-1-2-4-12(11)10-22/h1-6,9H,7-8,10H2,(H4,18,19,20,21)
InChIKeyGMLLQTGJSUMGPA-UHFFFAOYSA-N
XLogP2.36
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)quinazoline-2,4-diamine
CID 516587
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
CID 62911258
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(trifluoromethyl)aniline
CID 28510065
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
(2-amino-6-morpholin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 59483481
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
2-(1H-indol-5-yl)-3,4-dihydro-1H-isoquinoline
CID 110454620

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine (CID 90680235) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine is Nc1nc(N)c2cc(N3CCc4ccccc4C3)ccc2n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine?
The InChIKey is GMLLQTGJSUMGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-16-14-9-13(5-6-15(14)20-17(19)21-16)22-8-7-11-3-1-2-4-12(11)10-22/h1-6,9H,7-8,10H2,(H4,18,19,20,21).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine?
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 90680235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).