6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde

C15H19BrClNO — CID 174527110

IUPAC6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde
SMILESCc1cc(Br)c(Cl)c2c1NC(C)(C)C(C=O)C2(C)C
InChIInChI=1S/C15H19BrClNO/c1-8-6-9(16)12(17)11-13(8)18-15(4,5)10(7-19)14(11,2)3/h6-7,10,18H,1-5H3
InChIKeyOQUKXZQCYXMVAS-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.71
Rot. Bonds1

About 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde

6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde (PubChem CID 174527110) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde
PubChem CID174527110
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde
SMILESCc1cc(Br)c(Cl)c2c1NC(C)(C)C(C=O)C2(C)C
InChIInChI=1S/C15H19BrClNO/c1-8-6-9(16)12(17)11-13(8)18-15(4,5)10(7-19)14(11,2)3/h6-7,10,18H,1-5H3
InChIKeyOQUKXZQCYXMVAS-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.71
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 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde?
The IUPAC name of 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde (CID 174527110) is 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde.
What is the SMILES notation for 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde?
The canonical SMILES for 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde is Cc1cc(Br)c(Cl)c2c1NC(C)(C)C(C=O)C2(C)C.
What is the InChIKey of 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde?
The InChIKey is OQUKXZQCYXMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-8-6-9(16)12(17)11-13(8)18-15(4,5)10(7-19)14(11,2)3/h6-7,10,18H,1-5H3.
What are the key properties of 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde?
6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde has a molecular weight of 344.68 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-2,2,4,4,8-pentamethyl-1,3-dihydroquinoline-3-carbaldehyde is sourced from PubChem (CID 174527110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).