7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine

C18H21N5O — CID 154485075

IUPAC7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine
SMILESCOc1cc2c(cc1N)C(N)(NC1CC1c1ccccc1)N=CN2
InChIInChI=1S/C18H21N5O/c1-24-17-9-16-13(8-14(17)19)18(20,22-10-21-16)23-15-7-12(15)11-5-3-2-4-6-11/h2-6,8-10,12,15,23H,7,19-20H2,1H3,(H,21,22)
InChIKeyGJBSDMPIABKVSV-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.95
Rot. Bonds4

About 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine

7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine (PubChem CID 154485075) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine.

Molecular Properties

Compound Name7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine
PubChem CID154485075
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine
SMILESCOc1cc2c(cc1N)C(N)(NC1CC1c1ccccc1)N=CN2
InChIInChI=1S/C18H21N5O/c1-24-17-9-16-13(8-14(17)19)18(20,22-10-21-16)23-15-7-12(15)11-5-3-2-4-6-11/h2-6,8-10,12,15,23H,7,19-20H2,1H3,(H,21,22)
InChIKeyGJBSDMPIABKVSV-UHFFFAOYSA-N
XLogP1.95
TPSA97.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine?
The IUPAC name of 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine (CID 154485075) is 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine.
What is the SMILES notation for 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine?
The canonical SMILES for 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine is COc1cc2c(cc1N)C(N)(NC1CC1c1ccccc1)N=CN2.
What is the InChIKey of 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine?
The InChIKey is GJBSDMPIABKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-17-9-16-13(8-14(17)19)18(20,22-10-21-16)23-15-7-12(15)11-5-3-2-4-6-11/h2-6,8-10,12,15,23H,7,19-20H2,1H3,(H,21,22).
What are the key properties of 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine?
7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine has a molecular weight of 323.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-N'-(2-phenylcyclopropyl)-1H-quinazoline-4,4,6-triamine is sourced from PubChem (CID 154485075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).