2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline

C24H27N3 — CID 155455537

IUPAC2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline
SMILESCC(C)(C)c1ncc2ccc(CC(C)(C)c3c[nH]c4ccccc34)cc2n1
InChIInChI=1S/C24H27N3/c1-23(2,3)22-26-14-17-11-10-16(12-21(17)27-22)13-24(4,5)19-15-25-20-9-7-6-8-18(19)20/h6-12,14-15,25H,13H2,1-5H3
InChIKeySJWATUFXHLTEAP-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.93
Rot. Bonds3

About 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline

2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline (PubChem CID 155455537) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline.

Molecular Properties

Compound Name2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline
PubChem CID155455537
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline
SMILESCC(C)(C)c1ncc2ccc(CC(C)(C)c3c[nH]c4ccccc34)cc2n1
InChIInChI=1S/C24H27N3/c1-23(2,3)22-26-14-17-11-10-16(12-21(17)27-22)13-24(4,5)19-15-25-20-9-7-6-8-18(19)20/h6-12,14-15,25H,13H2,1-5H3
InChIKeySJWATUFXHLTEAP-UHFFFAOYSA-N
XLogP5.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline?
The IUPAC name of 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline (CID 155455537) is 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline.
What is the SMILES notation for 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline?
The canonical SMILES for 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline is CC(C)(C)c1ncc2ccc(CC(C)(C)c3c[nH]c4ccccc34)cc2n1.
What is the InChIKey of 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline?
The InChIKey is SJWATUFXHLTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-23(2,3)22-26-14-17-11-10-16(12-21(17)27-22)13-24(4,5)19-15-25-20-9-7-6-8-18(19)20/h6-12,14-15,25H,13H2,1-5H3.
What are the key properties of 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline?
2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline has a molecular weight of 357.50 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[2-(1H-indol-3-yl)-2-methylpropyl]quinazoline is sourced from PubChem (CID 155455537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).