2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C20H21ClN4O3 — CID 22693013

IUPAC2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
InChIInChI=1S/C20H21ClN4O3/c1-26-17-11-15-16(12-18(17)27-2)23-20(21)24-19(15)22-13-3-5-14(6-4-13)25-7-9-28-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyIWFNXXZAJSQBOK-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.88
Rot. Bonds5

About 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 22693013) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID22693013
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC
InChIInChI=1S/C20H21ClN4O3/c1-26-17-11-15-16(12-18(17)27-2)23-20(21)24-19(15)22-13-3-5-14(6-4-13)25-7-9-28-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)
InChIKeyIWFNXXZAJSQBOK-UHFFFAOYSA-N
XLogP3.88
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
7,8-dimethoxy-N-(4-morpholin-4-ylphenyl)-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 70977016
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
2-N-[3-(dimethylamino)phenyl]-6,7-dimethoxy-4-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117079834
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
CID 85473009
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine
CID 22692861
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 22693013) is 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is COc1cc2nc(Cl)nc(Nc3ccc(N4CCOCC4)cc3)c2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is IWFNXXZAJSQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-26-17-11-15-16(12-18(17)27-2)23-20(21)24-19(15)22-13-3-5-14(6-4-13)25-7-9-28-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 400.87 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 22693013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).