6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane

C22H29N3O2 — CID 170967439

IUPAC6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
SMILESCC.COc1cc2ncnc(Nc3ccc(C(C)C)cc3C)c2cc1OC
InChIInChI=1S/C20H23N3O2.C2H6/c1-12(2)14-6-7-16(13(3)8-14)23-20-15-9-18(24-4)19(25-5)10-17(15)21-11-22-20;1-2/h6-12H,1-5H3,(H,21,22,23);1-2H3
InChIKeyPKFPLQZNVPVCAS-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.85
Rot. Bonds5

About 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane

6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane (PubChem CID 170967439) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
PubChem CID170967439
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
SMILESCC.COc1cc2ncnc(Nc3ccc(C(C)C)cc3C)c2cc1OC
InChIInChI=1S/C20H23N3O2.C2H6/c1-12(2)14-6-7-16(13(3)8-14)23-20-15-9-18(24-4)19(25-5)10-17(15)21-11-22-20;1-2/h6-12H,1-5H3,(H,21,22,23);1-2H3
InChIKeyPKFPLQZNVPVCAS-UHFFFAOYSA-N
XLogP5.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methylphenyl]-3,3-dimethylbutane-1,2-dione
CID 170967416
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
CID 56954133
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 54450095
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
N-[3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-propan-2-ylbenzamide
CID 23627606
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
[4-(5-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl] acetate
CID 173197249
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane?
The IUPAC name of 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane (CID 170967439) is 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane.
What is the SMILES notation for 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane?
The canonical SMILES for 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane is CC.COc1cc2ncnc(Nc3ccc(C(C)C)cc3C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane?
The InChIKey is PKFPLQZNVPVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.C2H6/c1-12(2)14-6-7-16(13(3)8-14)23-20-15-9-18(24-4)19(25-5)10-17(15)21-11-22-20;1-2/h6-12H,1-5H3,(H,21,22,23);1-2H3.
What are the key properties of 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane?
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane has a molecular weight of 367.49 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane is sourced from PubChem (CID 170967439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).