4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine

C17H16N4 — CID 80749587

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
SMILESNc1nc(N2CCc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C17H16N4/c18-17-19-15-8-4-3-7-14(15)16(20-17)21-10-9-12-5-1-2-6-13(12)11-21/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyLYYMNPDIFCLJGK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.77
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine (PubChem CID 80749587) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
PubChem CID80749587
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
SMILESNc1nc(N2CCc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C17H16N4/c18-17-19-15-8-4-3-7-14(15)16(20-17)21-10-9-12-5-1-2-6-13(12)11-21/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyLYYMNPDIFCLJGK-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
CID 90680235
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117101984
5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80830671
[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
CID 80902799
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S,2S)-2-(4-methylpiperazin-1-yl)cyclohexyl]quinazolin-2-amine
CID 66904724
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80767136

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine (CID 80749587) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine is Nc1nc(N2CCc3ccccc3C2)c2ccccc2n1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine?
The InChIKey is LYYMNPDIFCLJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-17-19-15-8-4-3-7-14(15)16(20-17)21-10-9-12-5-1-2-6-13(12)11-21/h1-8H,9-11H2,(H2,18,19,20).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 80749587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).