1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde

C26H19ClN2O2 — CID 19097338

IUPAC1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChIInChI=1S/C26H19ClN2O2/c27-21-8-5-18(6-9-21)14-29-15-20(16-30)24-13-23(11-12-26(24)29)31-17-22-10-7-19-3-1-2-4-25(19)28-22/h1-13,15-16H,14,17H2
InChIKeyJVFVVJXJXYQGIL-UHFFFAOYSA-N
MW426.90 g/mol
LogP6.28
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde

1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde (PubChem CID 19097338) has the molecular formula C26H19ClN2O2 and a molecular weight of 426.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde
PubChem CID19097338
Molecular FormulaC26H19ClN2O2
Molecular Weight426.90 g/mol
Exact Mass426.11
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChIInChI=1S/C26H19ClN2O2/c27-21-8-5-18(6-9-21)14-29-15-20(16-30)24-13-23(11-12-26(24)29)31-17-22-10-7-19-3-1-2-4-25(19)28-22/h1-13,15-16H,14,17H2
InChIKeyJVFVVJXJXYQGIL-UHFFFAOYSA-N
XLogP6.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde (CID 19097338) is 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde is O=Cc1cn(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde?
The InChIKey is JVFVVJXJXYQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O2/c27-21-8-5-18(6-9-21)14-29-15-20(16-30)24-13-23(11-12-26(24)29)31-17-22-10-7-19-3-1-2-4-25(19)28-22/h1-13,15-16H,14,17H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde?
1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde has a molecular weight of 426.90 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indole-3-carbaldehyde is sourced from PubChem (CID 19097338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).