2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane

C21H26N4O2 — CID 143095921

IUPAC2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
SMILESCC.COc1cc2ncnc(N3CCc4ccc(N)cc4C3)c2cc1OC
InChIInChI=1S/C19H20N4O2.C2H6/c1-24-17-8-15-16(9-18(17)25-2)21-11-22-19(15)23-6-5-12-3-4-14(20)7-13(12)10-23;1-2/h3-4,7-9,11H,5-6,10,20H2,1-2H3;1-2H3
InChIKeyPMPZEVWHHCIFGS-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.82
Rot. Bonds3

About 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane

2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane (PubChem CID 143095921) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
PubChem CID143095921
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
SMILESCC.COc1cc2ncnc(N3CCc4ccc(N)cc4C3)c2cc1OC
InChIInChI=1S/C19H20N4O2.C2H6/c1-24-17-8-15-16(9-18(17)25-2)21-11-22-19(15)23-6-5-12-3-4-14(20)7-13(12)10-23;1-2/h3-4,7-9,11H,5-6,10,20H2,1-2H3;1-2H3
InChIKeyPMPZEVWHHCIFGS-UHFFFAOYSA-N
XLogP3.82
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
acetic acid;2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 143413817
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
CID 18932856
6,7-dimethoxy-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 21416702
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
1-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyisoquinoline
CID 11645449

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane?
The IUPAC name of 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane (CID 143095921) is 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane.
What is the SMILES notation for 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane?
The canonical SMILES for 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane is CC.COc1cc2ncnc(N3CCc4ccc(N)cc4C3)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane?
The InChIKey is PMPZEVWHHCIFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.C2H6/c1-24-17-8-15-16(9-18(17)25-2)21-11-22-19(15)23-6-5-12-3-4-14(20)7-13(12)10-23;1-2/h3-4,7-9,11H,5-6,10,20H2,1-2H3;1-2H3.
What are the key properties of 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane?
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane has a molecular weight of 366.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane is sourced from PubChem (CID 143095921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).