3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde

C14H19NO — CID 170151194

IUPAC3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCC1Cc2cc(C(C)C)ccc2N(C=O)C1
InChIInChI=1S/C14H19NO/c1-10(2)12-4-5-14-13(7-12)6-11(3)8-15(14)9-16/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyLLSJCJRJGSCGQU-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds2

About 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde

3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde (PubChem CID 170151194) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
PubChem CID170151194
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESCC1Cc2cc(C(C)C)ccc2N(C=O)C1
InChIInChI=1S/C14H19NO/c1-10(2)12-4-5-14-13(7-12)6-11(3)8-15(14)9-16/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyLLSJCJRJGSCGQU-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
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 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde (CID 170151194) is 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde is CC1Cc2cc(C(C)C)ccc2N(C=O)C1.
What is the InChIKey of 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The InChIKey is LLSJCJRJGSCGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)12-4-5-14-13(7-12)6-11(3)8-15(14)9-16/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde?
3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 170151194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).