3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide

C22H27N5O2 — CID 46898100

IUPAC3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
SMILESCCOc1ccc(C(=O)N(CC)CC)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26)
InChIKeyFGWXTZGZPLKOKM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.65
Rot. Bonds6

About 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide

3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide (PubChem CID 46898100) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
PubChem CID46898100
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
SMILESCCOc1ccc(C(=O)N(CC)CC)cc1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26)
InChIKeyFGWXTZGZPLKOKM-UHFFFAOYSA-N
XLogP3.65
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-Diamino-6-Methylquinazolin-7-Yl)-4-Ethoxybenzaldehyde
CID 53346508
7-(2-Ethoxynaphthalen-1-Yl)-6-Methylquinazoline-2,4-Diamine
CID 53346511
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
7-(2-Ethoxy-5-methylphenyl)-6-methylquinazoline-2,4-diamine
CID 56673138
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]naphthalen-1-ylmethanone
CID 25002414
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]naphthalen-2-yl-methanone
CID 25002415
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-o-tolylmethanone
CID 25002416
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-m-tolylmethanone
CID 25002417
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-p-tolylmethanone
CID 25002759
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 25002760
[4-(2,4-Diamino-quinazolin-5-yloxymethyl)-piperidin-1-yl]-(3,4-difluorophenyl)-methanone
CID 25002761

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide?
The IUPAC name of 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide (CID 46898100) is 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide.
What is the SMILES notation for 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide?
The canonical SMILES for 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide is CCOc1ccc(C(=O)N(CC)CC)cc1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide?
The InChIKey is FGWXTZGZPLKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26).
What are the key properties of 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide?
3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide is sourced from PubChem (CID 46898100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).