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

C23H20N4 — CID 71690567

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2nc(N3CCc4ccccc4C3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4/c1-2-10-19(11-3-1)24-22-20-12-6-7-13-21(20)25-23(26-22)27-15-14-17-8-4-5-9-18(17)16-27/h1-13H,14-16H2,(H,24,25,26)
InChIKeyNCWAQNYPSKRULE-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.94
Rot. Bonds3

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine (PubChem CID 71690567) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
PubChem CID71690567
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2nc(N3CCc4ccccc4C3)nc3ccccc23)cc1
InChIInChI=1S/C23H20N4/c1-2-10-19(11-3-1)24-22-20-12-6-7-13-21(20)25-23(26-22)27-15-14-17-8-4-5-9-18(17)16-27/h1-13H,14-16H2,(H,24,25,26)
InChIKeyNCWAQNYPSKRULE-UHFFFAOYSA-N
XLogP4.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50945732
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 19147429
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine
CID 144787506
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1283419
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine (CID 71690567) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine is c1ccc(Nc2nc(N3CCc4ccccc4C3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine?
The InChIKey is NCWAQNYPSKRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-10-19(11-3-1)24-22-20-12-6-7-13-21(20)25-23(26-22)27-15-14-17-8-4-5-9-18(17)16-27/h1-13H,14-16H2,(H,24,25,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 71690567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).