5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine

C19H21ClN4O3 — CID 11703778

IUPAC5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine
SMILESCOCOCC(COc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-25-11-26-9-13(12-5-7-14(20)8-6-12)10-27-16-4-2-3-15-17(16)18(21)24-19(22)23-15/h2-8,13H,9-11H2,1H3,(H4,21,22,23,24)
InChIKeyMXDTWVFKLJDLEO-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.23
Rot. Bonds8

About 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine

5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine (PubChem CID 11703778) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine
PubChem CID11703778
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine
SMILESCOCOCC(COc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-25-11-26-9-13(12-5-7-14(20)8-6-12)10-27-16-4-2-3-15-17(16)18(21)24-19(22)23-15/h2-8,13H,9-11H2,1H3,(H4,21,22,23,24)
InChIKeyMXDTWVFKLJDLEO-UHFFFAOYSA-N
XLogP3.23
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine 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 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine (CID 11703778) is 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine is COCOCC(COc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine?
The InChIKey is MXDTWVFKLJDLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-25-11-26-9-13(12-5-7-14(20)8-6-12)10-27-16-4-2-3-15-17(16)18(21)24-19(22)23-15/h2-8,13H,9-11H2,1H3,(H4,21,22,23,24).
What are the key properties of 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine?
5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine has a molecular weight of 388.86 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 11703778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).