N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine

C23H20ClN3O3 — CID 122628743

IUPACN-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)cc3C)c2cc1OC
InChIInChI=1S/C23H20ClN3O3/c1-14-9-17(30-16-6-4-5-15(24)10-16)7-8-19(14)27-23-18-11-21(28-2)22(29-3)12-20(18)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)
InChIKeyXRJIMXHLKIVNEY-UHFFFAOYSA-N
MW421.88 g/mol
LogP6.14
Rot. Bonds6

About N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine

N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 122628743) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID122628743
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC NameN-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)cc3C)c2cc1OC
InChIInChI=1S/C23H20ClN3O3/c1-14-9-17(30-16-6-4-5-15(24)10-16)7-8-19(14)27-23-18-11-21(28-2)22(29-3)12-20(18)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)
InChIKeyXRJIMXHLKIVNEY-UHFFFAOYSA-N
XLogP6.14
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 54450095
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methylphenyl]-3,3-dimethylbutane-1,2-dione
CID 170967416
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
[4-(5-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl] acetate
CID 173197249

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine (CID 122628743) is N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)cc3C)c2cc1OC.
What is the InChIKey of N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is XRJIMXHLKIVNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-14-9-17(30-16-6-4-5-15(24)10-16)7-8-19(14)27-23-18-11-21(28-2)22(29-3)12-20(18)25-13-26-23/h4-13H,1-3H3,(H,25,26,27).
What are the key properties of N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine?
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 421.88 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 122628743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).