6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine

C22H23N5O2S — CID 44528832

IUPAC6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(NCCc3ccccc3)nc(NCc3nccs3)c2cc1OC
InChIInChI=1S/C22H23N5O2S/c1-28-18-12-16-17(13-19(18)29-2)26-22(24-9-8-15-6-4-3-5-7-15)27-21(16)25-14-20-23-10-11-30-20/h3-7,10-13H,8-9,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyMEHKPBYORDVVAB-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.37
Rot. Bonds9

About 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine

6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine (PubChem CID 44528832) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine
PubChem CID44528832
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine
SMILESCOc1cc2nc(NCCc3ccccc3)nc(NCc3nccs3)c2cc1OC
InChIInChI=1S/C22H23N5O2S/c1-28-18-12-16-17(13-19(18)29-2)26-22(24-9-8-15-6-4-3-5-7-15)27-21(16)25-14-20-23-10-11-30-20/h3-7,10-13H,8-9,14H2,1-2H3,(H2,24,25,26,27)
InChIKeyMEHKPBYORDVVAB-UHFFFAOYSA-N
XLogP4.37
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine with MolForge

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Related Compounds

6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
1-Piperazinecarbothioamide, 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-
CID 3061449
N-(3-fluorophenyl)-2-{2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
CID 9916282
7-[5,6-Dimethoxy-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 56595785
4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide
CID 9890746
Bay-293
CID 137322663
6-(benzo[d][1,3]dioxol-5-yl)-N-((2-methylthiazol-4-yl)methyl)quinazolin-4-amine
CID 44223952
2-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxy-4-quinazolinyl]amino]-N-(3-fluorophenyl)-5-thiazoleacetamide
CID 11504974

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine (CID 44528832) is 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine is COc1cc2nc(NCCc3ccccc3)nc(NCc3nccs3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine?
The InChIKey is MEHKPBYORDVVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-28-18-12-16-17(13-19(18)29-2)26-22(24-9-8-15-6-4-3-5-7-15)27-21(16)25-14-20-23-10-11-30-20/h3-7,10-13H,8-9,14H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine?
6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine has a molecular weight of 421.53 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-(2-phenylethyl)-4-N-(1,3-thiazol-2-ylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 44528832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).