2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde

C23H22N4O2 — CID 162669442

IUPAC2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2nc(OCCN3CCCC3)c3ccccc3n2)[nH]c2ccccc12
InChIInChI=1S/C23H22N4O2/c28-15-18-16-7-1-3-9-19(16)24-21(18)22-25-20-10-4-2-8-17(20)23(26-22)29-14-13-27-11-5-6-12-27/h1-4,7-10,15,24H,5-6,11-14H2
InChIKeyNSTVHDHISIFMAN-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde

2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde (PubChem CID 162669442) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde
PubChem CID162669442
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2nc(OCCN3CCCC3)c3ccccc3n2)[nH]c2ccccc12
InChIInChI=1S/C23H22N4O2/c28-15-18-16-7-1-3-9-19(16)24-21(18)22-25-20-10-4-2-8-17(20)23(26-22)29-14-13-27-11-5-6-12-27/h1-4,7-10,15,24H,5-6,11-14H2
InChIKeyNSTVHDHISIFMAN-UHFFFAOYSA-N
XLogP4.07
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde?
The IUPAC name of 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde (CID 162669442) is 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde is O=Cc1c(-c2nc(OCCN3CCCC3)c3ccccc3n2)[nH]c2ccccc12.
What is the InChIKey of 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde?
The InChIKey is NSTVHDHISIFMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-15-18-16-7-1-3-9-19(16)24-21(18)22-25-20-10-4-2-8-17(20)23(26-22)29-14-13-27-11-5-6-12-27/h1-4,7-10,15,24H,5-6,11-14H2.
What are the key properties of 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde?
2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde has a molecular weight of 386.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrolidin-1-ylethoxy)quinazolin-2-yl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 162669442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).