(2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde

C16H11Cl2NO — CID 139065406

IUPAC(2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde
SMILESO=CN1c2ccccc2C(Cl)=C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO/c17-12-7-5-11(6-8-12)16-9-14(18)13-3-1-2-4-15(13)19(16)10-20/h1-10,16H/t16-/m0/s1
InChIKeyCHCZRJWQRONYAC-INIZCTEOSA-N
MW304.18 g/mol
LogP4.64
Rot. Bonds2

About (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde

(2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde (PubChem CID 139065406) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde
PubChem CID139065406
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name(2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde
SMILESO=CN1c2ccccc2C(Cl)=C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO/c17-12-7-5-11(6-8-12)16-9-14(18)13-3-1-2-4-15(13)19(16)10-20/h1-10,16H/t16-/m0/s1
InChIKeyCHCZRJWQRONYAC-INIZCTEOSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde?
The IUPAC name of (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde (CID 139065406) is (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde?
The canonical SMILES for (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde is O=CN1c2ccccc2C(Cl)=C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde?
The InChIKey is CHCZRJWQRONYAC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-12-7-5-11(6-8-12)16-9-14(18)13-3-1-2-4-15(13)19(16)10-20/h1-10,16H/t16-/m0/s1.
What are the key properties of (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde?
(2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde has a molecular weight of 304.18 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-2-(4-chlorophenyl)-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 139065406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).