7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine

C21H20N4O — CID 53346511

IUPAC7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C21H20N4O/c1-3-26-18-9-8-13-6-4-5-7-14(13)19(18)15-11-17-16(10-12(15)2)20(22)25-21(23)24-17/h4-11H,3H2,1-2H3,(H4,22,23,24,25)
InChIKeyDYQBRXOQGFCHCN-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.32
Rot. Bonds3

About 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine

7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine (PubChem CID 53346511) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
PubChem CID53346511
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C21H20N4O/c1-3-26-18-9-8-13-6-4-5-7-14(13)19(18)15-11-17-16(10-12(15)2)20(22)25-21(23)24-17/h4-11H,3H2,1-2H3,(H4,22,23,24,25)
InChIKeyDYQBRXOQGFCHCN-UHFFFAOYSA-N
XLogP4.32
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine (CID 53346511) is 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine is CCOc1ccc2ccccc2c1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine?
The InChIKey is DYQBRXOQGFCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-26-18-9-8-13-6-4-5-7-14(13)19(18)15-11-17-16(10-12(15)2)20(22)25-21(23)24-17/h4-11H,3H2,1-2H3,(H4,22,23,24,25).
What are the key properties of 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine?
7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxynaphthalen-1-yl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 53346511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).