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

C11H13NO — CID 2793014

IUPAC1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCN1CCCc2cc(C=O)ccc21
InChIInChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXPXZIZIGEKZVMQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds1

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

1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (PubChem CID 2793014) 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-6-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
PubChem CID2793014
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SMILESCN1CCCc2cc(C=O)ccc21
InChIInChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyXPXZIZIGEKZVMQ-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-7-carbaldehyde
CID 82411141
ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
CID 144840756
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoic acid
CID 57367649
2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
CID 79329028
1-(4-chloropentyl)-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 91010817
4-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 3669719
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980
4-(1-hydroxycyclobutyl)benzaldehyde;1-methyl-5-[4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 156800907
2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate
CID 75418643
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carbaldehyde
CID 84671403

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The IUPAC name of 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde (CID 2793014) is 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde.
What is the SMILES notation for 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The canonical SMILES for 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde is CN1CCCc2cc(C=O)ccc21.
What is the InChIKey of 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
The InChIKey is XPXZIZIGEKZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde?
1-methyl-3,4-dihydro-2H-quinoline-6-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-6-carbaldehyde is sourced from PubChem (CID 2793014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).