1H-indole-3-carbaldehyde;quinoline

C18H14N2O — CID 174622034

IUPAC1H-indole-3-carbaldehyde;quinoline
SMILESO=Cc1c[nH]c2ccccc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7NO.C9H7N/c11-6-7-5-10-9-4-2-1-3-8(7)9;1-2-6-9-8(4-1)5-3-7-10-9/h1-6,10H;1-7H
InChIKeyYZXINASDMKVMJU-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.22
Rot. Bonds1

About 1H-indole-3-carbaldehyde;quinoline

1H-indole-3-carbaldehyde;quinoline (PubChem CID 174622034) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1H-indole-3-carbaldehyde;quinoline.

Molecular Properties

Compound Name1H-indole-3-carbaldehyde;quinoline
PubChem CID174622034
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1H-indole-3-carbaldehyde;quinoline
SMILESO=Cc1c[nH]c2ccccc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H7NO.C9H7N/c11-6-7-5-10-9-4-2-1-3-8(7)9;1-2-6-9-8(4-1)5-3-7-10-9/h1-6,10H;1-7H
InChIKeyYZXINASDMKVMJU-UHFFFAOYSA-N
XLogP4.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-3-carbaldehyde;quinoline?
The IUPAC name of 1H-indole-3-carbaldehyde;quinoline (CID 174622034) is 1H-indole-3-carbaldehyde;quinoline.
What is the SMILES notation for 1H-indole-3-carbaldehyde;quinoline?
The canonical SMILES for 1H-indole-3-carbaldehyde;quinoline is O=Cc1c[nH]c2ccccc12.c1ccc2ncccc2c1.
What is the InChIKey of 1H-indole-3-carbaldehyde;quinoline?
The InChIKey is YZXINASDMKVMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C9H7N/c11-6-7-5-10-9-4-2-1-3-8(7)9;1-2-6-9-8(4-1)5-3-7-10-9/h1-6,10H;1-7H.
What are the key properties of 1H-indole-3-carbaldehyde;quinoline?
1H-indole-3-carbaldehyde;quinoline has a molecular weight of 274.32 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-3-carbaldehyde;quinoline is sourced from PubChem (CID 174622034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).