4-N-(1H-indol-6-yl)quinazoline-4,6-diamine

C16H13N5 — CID 70271073

IUPAC4-N-(1H-indol-6-yl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc4cc[nH]c4c3)c2c1
InChIInChI=1S/C16H13N5/c17-11-2-4-14-13(7-11)16(20-9-19-14)21-12-3-1-10-5-6-18-15(10)8-12/h1-9,18H,17H2,(H,19,20,21)
InChIKeyHAMRINUEXJMHAJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.44
Rot. Bonds2

About 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine

4-N-(1H-indol-6-yl)quinazoline-4,6-diamine (PubChem CID 70271073) has the molecular formula C16H13N5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1H-indol-6-yl)quinazoline-4,6-diamine
PubChem CID70271073
Molecular FormulaC16H13N5
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name4-N-(1H-indol-6-yl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc4cc[nH]c4c3)c2c1
InChIInChI=1S/C16H13N5/c17-11-2-4-14-13(7-11)16(20-9-19-14)21-12-3-1-10-5-6-18-15(10)8-12/h1-9,18H,17H2,(H,19,20,21)
InChIKeyHAMRINUEXJMHAJ-UHFFFAOYSA-N
XLogP3.44
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine (CID 70271073) is 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc4cc[nH]c4c3)c2c1.
What is the InChIKey of 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine?
The InChIKey is HAMRINUEXJMHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-11-2-4-14-13(7-11)16(20-9-19-14)21-12-3-1-10-5-6-18-15(10)8-12/h1-9,18H,17H2,(H,19,20,21).
What are the key properties of 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine?
4-N-(1H-indol-6-yl)quinazoline-4,6-diamine has a molecular weight of 275.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indol-6-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 70271073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).