7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine

C19H19N5O — CID 56676461

IUPAC7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc2[nH]ccc2c1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C19H19N5O/c1-3-25-16-5-4-14-11(6-7-22-14)17(16)12-9-15-13(8-10(12)2)18(20)24-19(21)23-15/h4-9,22H,3H2,1-2H3,(H4,20,21,23,24)
InChIKeyPMYSHQIRGNMQPJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.65
Rot. Bonds3

About 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine

7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine (PubChem CID 56676461) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine
PubChem CID56676461
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine
SMILESCCOc1ccc2[nH]ccc2c1-c1cc2nc(N)nc(N)c2cc1C
InChIInChI=1S/C19H19N5O/c1-3-25-16-5-4-14-11(6-7-22-14)17(16)12-9-15-13(8-10(12)2)18(20)24-19(21)23-15/h4-9,22H,3H2,1-2H3,(H4,20,21,23,24)
InChIKeyPMYSHQIRGNMQPJ-UHFFFAOYSA-N
XLogP3.65
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine (CID 56676461) is 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine is CCOc1ccc2[nH]ccc2c1-c1cc2nc(N)nc(N)c2cc1C.
What is the InChIKey of 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine?
The InChIKey is PMYSHQIRGNMQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-25-16-5-4-14-11(6-7-22-14)17(16)12-9-15-13(8-10(12)2)18(20)24-19(21)23-15/h4-9,22H,3H2,1-2H3,(H4,20,21,23,24).
What are the key properties of 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine?
7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine has a molecular weight of 333.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethoxy-1H-indol-4-yl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56676461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).