2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine

C19H23N5O — CID 170431197

IUPAC2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine
SMILESCOc1cc2c(cc1C1(N)N=Cc3ccc(N)cc3N1)CN(C)CC2
InChIInChI=1S/C19H23N5O/c1-24-6-5-12-8-18(25-2)16(7-14(12)11-24)19(21)22-10-13-3-4-15(20)9-17(13)23-19/h3-4,7-10,23H,5-6,11,20-21H2,1-2H3
InChIKeyZKRAVCOKUMCFOZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.88
Rot. Bonds2

About 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine

2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine (PubChem CID 170431197) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine.

Molecular Properties

Compound Name2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine
PubChem CID170431197
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine
SMILESCOc1cc2c(cc1C1(N)N=Cc3ccc(N)cc3N1)CN(C)CC2
InChIInChI=1S/C19H23N5O/c1-24-6-5-12-8-18(25-2)16(7-14(12)11-24)19(21)22-10-13-3-4-15(20)9-17(13)23-19/h3-4,7-10,23H,5-6,11,20-21H2,1-2H3
InChIKeyZKRAVCOKUMCFOZ-UHFFFAOYSA-N
XLogP1.88
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine with MolForge

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Related Compounds

6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
CID 168846425
3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143718971
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 84664224
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83956913
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)formamide
CID 167049883
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
6-methoxy-2-methyl-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171835

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine?
The IUPAC name of 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine (CID 170431197) is 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine.
What is the SMILES notation for 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine?
The canonical SMILES for 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine is COc1cc2c(cc1C1(N)N=Cc3ccc(N)cc3N1)CN(C)CC2.
What is the InChIKey of 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine?
The InChIKey is ZKRAVCOKUMCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24-6-5-12-8-18(25-2)16(7-14(12)11-24)19(21)22-10-13-3-4-15(20)9-17(13)23-19/h3-4,7-10,23H,5-6,11,20-21H2,1-2H3.
What are the key properties of 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine?
2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine has a molecular weight of 337.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine is sourced from PubChem (CID 170431197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).