N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine

C22H18ClN3O3 — CID 122628510

IUPACN-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Oc4cccc(Cl)c4)c3)c2cc1OC
InChIInChI=1S/C22H18ClN3O3/c1-27-20-11-18-19(12-21(20)28-2)24-13-25-22(18)26-15-6-4-8-17(10-15)29-16-7-3-5-14(23)9-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyXOLVLMYPUWWPBC-UHFFFAOYSA-N
MW407.86 g/mol
LogP5.84
Rot. Bonds6

About N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine

N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 122628510) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID122628510
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC NameN-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Oc4cccc(Cl)c4)c3)c2cc1OC
InChIInChI=1S/C22H18ClN3O3/c1-27-20-11-18-19(12-21(20)28-2)24-13-25-22(18)26-15-6-4-8-17(10-15)29-16-7-3-5-14(23)9-16/h3-13H,1-2H3,(H,24,25,26)
InChIKeyXOLVLMYPUWWPBC-UHFFFAOYSA-N
XLogP5.84
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.86
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-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

N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
6,7-diethoxy-N-(3-phenoxyphenyl)quinazolin-4-amine
CID 56984561
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
7-[[(3aS,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 58617026
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
4-chloro-6,7-dimethoxyquinazoline;N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 162132329
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine (CID 122628510) is N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3cccc(Oc4cccc(Cl)c4)c3)c2cc1OC.
What is the InChIKey of N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is XOLVLMYPUWWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-27-20-11-18-19(12-21(20)28-2)24-13-25-22(18)26-15-6-4-8-17(10-15)29-16-7-3-5-14(23)9-16/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine?
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 407.86 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 122628510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).