1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde

C15H21NO — CID 132649401

IUPAC1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCc1cc(C=O)cc2c1N(C)C(C)(C)CC2C
InChIInChI=1S/C15H21NO/c1-10-6-12(9-17)7-13-11(2)8-15(3,4)16(5)14(10)13/h6-7,9,11H,8H2,1-5H3
InChIKeyQGNNDHJVJPNILI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.53
Rot. Bonds1

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

1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde (PubChem CID 132649401) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde
PubChem CID132649401
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde
SMILESCc1cc(C=O)cc2c1N(C)C(C)(C)CC2C
InChIInChI=1S/C15H21NO/c1-10-6-12(9-17)7-13-11(2)8-15(3,4)16(5)14(10)13/h6-7,9,11H,8H2,1-5H3
InChIKeyQGNNDHJVJPNILI-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
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 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde?
The IUPAC name of 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde (CID 132649401) is 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde.
What is the SMILES notation for 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde?
The canonical SMILES for 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde is Cc1cc(C=O)cc2c1N(C)C(C)(C)CC2C.
What is the InChIKey of 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde?
The InChIKey is QGNNDHJVJPNILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-6-12(9-17)7-13-11(2)8-15(3,4)16(5)14(10)13/h6-7,9,11H,8H2,1-5H3.
What are the key properties of 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde?
1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde has a molecular weight of 231.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,8-pentamethyl-3,4-dihydroquinoline-6-carbaldehyde is sourced from PubChem (CID 132649401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).