4-indol-1-yl-2-piperidin-1-ylquinazoline

C21H20N4 — CID 44574839

IUPAC4-indol-1-yl-2-piperidin-1-ylquinazoline
SMILESc1ccc2c(c1)ccn2-c1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C21H20N4/c1-6-13-24(14-7-1)21-22-18-10-4-3-9-17(18)20(23-21)25-15-12-16-8-2-5-11-19(16)25/h2-5,8-12,15H,1,6-7,13-14H2
InChIKeyCDNRORVRHJSELB-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.56
Rot. Bonds2

About 4-indol-1-yl-2-piperidin-1-ylquinazoline

4-indol-1-yl-2-piperidin-1-ylquinazoline (PubChem CID 44574839) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-indol-1-yl-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name4-indol-1-yl-2-piperidin-1-ylquinazoline
PubChem CID44574839
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-indol-1-yl-2-piperidin-1-ylquinazoline
SMILESc1ccc2c(c1)ccn2-c1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C21H20N4/c1-6-13-24(14-7-1)21-22-18-10-4-3-9-17(18)20(23-21)25-15-12-16-8-2-5-11-19(16)25/h2-5,8-12,15H,1,6-7,13-14H2
InChIKeyCDNRORVRHJSELB-UHFFFAOYSA-N
XLogP4.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-2-piperidin-1-ylquinazoline?
The IUPAC name of 4-indol-1-yl-2-piperidin-1-ylquinazoline (CID 44574839) is 4-indol-1-yl-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 4-indol-1-yl-2-piperidin-1-ylquinazoline?
The canonical SMILES for 4-indol-1-yl-2-piperidin-1-ylquinazoline is c1ccc2c(c1)ccn2-c1nc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of 4-indol-1-yl-2-piperidin-1-ylquinazoline?
The InChIKey is CDNRORVRHJSELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-6-13-24(14-7-1)21-22-18-10-4-3-9-17(18)20(23-21)25-15-12-16-8-2-5-11-19(16)25/h2-5,8-12,15H,1,6-7,13-14H2.
What are the key properties of 4-indol-1-yl-2-piperidin-1-ylquinazoline?
4-indol-1-yl-2-piperidin-1-ylquinazoline has a molecular weight of 328.42 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 44574839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).