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

C22H26N4 — CID 144787506

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine
SMILESCCCN(CC)c1nc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C22H26N4/c1-3-14-25(4-2)21-19-11-7-8-12-20(19)23-22(24-21)26-15-13-17-9-5-6-10-18(17)16-26/h5-12H,3-4,13-16H2,1-2H3
InChIKeyZYHNDNWUMDKNRL-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.43
Rot. Bonds5

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine (PubChem CID 144787506) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine
PubChem CID144787506
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine
SMILESCCCN(CC)c1nc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C22H26N4/c1-3-14-25(4-2)21-19-11-7-8-12-20(19)23-22(24-21)26-15-13-17-9-5-6-10-18(17)16-26/h5-12H,3-4,13-16H2,1-2H3
InChIKeyZYHNDNWUMDKNRL-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine (CID 144787506) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine is CCCN(CC)c1nc(N2CCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine?
The InChIKey is ZYHNDNWUMDKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-14-25(4-2)21-19-11-7-8-12-20(19)23-22(24-21)26-15-13-17-9-5-6-10-18(17)16-26/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-propylquinazolin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 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-ethyl-N-propylquinazolin-4-amine is sourced from PubChem (CID 144787506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).