7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine

C17H15N5 — CID 67607527

IUPAC7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N5/c1-9-6-12-15(21-17(19)22-16(12)18)7-11(9)13-8-20-14-5-3-2-4-10(13)14/h2-8,20H,1H3,(H4,18,19,21,22)
InChIKeyCQSLHFQAOFDXSO-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.25
Rot. Bonds1

About 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine

7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine (PubChem CID 67607527) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
PubChem CID67607527
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H15N5/c1-9-6-12-15(21-17(19)22-16(12)18)7-11(9)13-8-20-14-5-3-2-4-10(13)14/h2-8,20H,1H3,(H4,18,19,21,22)
InChIKeyCQSLHFQAOFDXSO-UHFFFAOYSA-N
XLogP3.25
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine (CID 67607527) is 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine is Cc1cc2c(N)nc(N)nc2cc1-c1c[nH]c2ccccc12.
What is the InChIKey of 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine?
The InChIKey is CQSLHFQAOFDXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-9-6-12-15(21-17(19)22-16(12)18)7-11(9)13-8-20-14-5-3-2-4-10(13)14/h2-8,20H,1H3,(H4,18,19,21,22).
What are the key properties of 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine?
7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 67607527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).