4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline

C22H23N5 — CID 44574940

IUPAC4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3cn(C)c4ccccc34)c3ccccc3n2)CC1
InChIInChI=1S/C22H23N5/c1-25-11-13-27(14-12-25)22-23-19-9-5-3-8-17(19)21(24-22)18-15-26(2)20-10-6-4-7-16(18)20/h3-10,15H,11-14H2,1-2H3
InChIKeyNAOLDYUSOSJTHJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.54
Rot. Bonds2

About 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline

4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 44574940) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline
PubChem CID44574940
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2nc(-c3cn(C)c4ccccc34)c3ccccc3n2)CC1
InChIInChI=1S/C22H23N5/c1-25-11-13-27(14-12-25)22-23-19-9-5-3-8-17(19)21(24-22)18-15-26(2)20-10-6-4-7-16(18)20/h3-10,15H,11-14H2,1-2H3
InChIKeyNAOLDYUSOSJTHJ-UHFFFAOYSA-N
XLogP3.54
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline (CID 44574940) is 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2nc(-c3cn(C)c4ccccc34)c3ccccc3n2)CC1.
What is the InChIKey of 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is NAOLDYUSOSJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-25-11-13-27(14-12-25)22-23-19-9-5-3-8-17(19)21(24-22)18-15-26(2)20-10-6-4-7-16(18)20/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline?
4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 357.46 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 44574940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).