1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde

C11H13NO — CID 82411141

IUPAC1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
SMILESCN1CCCc2ccc(C=O)cc21
InChIInChI=1S/C11H13NO/c1-12-6-2-3-10-5-4-9(8-13)7-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyFXEDPKHNEUGPBI-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds1

About 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde

1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde (PubChem CID 82411141) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
PubChem CID82411141
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
SMILESCN1CCCc2ccc(C=O)cc21
InChIInChI=1S/C11H13NO/c1-12-6-2-3-10-5-4-9(8-13)7-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyFXEDPKHNEUGPBI-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoic acid
CID 57367649
ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
CID 144840756

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde?
The IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde (CID 82411141) is 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde is CN1CCCc2ccc(C=O)cc21.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde?
The InChIKey is FXEDPKHNEUGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-6-2-3-10-5-4-9(8-13)7-11(10)12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde?
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde is sourced from PubChem (CID 82411141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).