6-methoxy-2-(propylamino)quinoline-3-carbaldehyde

C14H16N2O2 — CID 86669817

IUPAC6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
SMILESCCCNc1nc2ccc(OC)cc2cc1C=O
InChIInChI=1S/C14H16N2O2/c1-3-6-15-14-11(9-17)7-10-8-12(18-2)4-5-13(10)16-14/h4-5,7-9H,3,6H2,1-2H3,(H,15,16)
InChIKeyMMFHZOFSIBFRKZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.88
Rot. Bonds5

About 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde

6-methoxy-2-(propylamino)quinoline-3-carbaldehyde (PubChem CID 86669817) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
PubChem CID86669817
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-methoxy-2-(propylamino)quinoline-3-carbaldehyde
SMILESCCCNc1nc2ccc(OC)cc2cc1C=O
InChIInChI=1S/C14H16N2O2/c1-3-6-15-14-11(9-17)7-10-8-12(18-2)4-5-13(10)16-14/h4-5,7-9H,3,6H2,1-2H3,(H,15,16)
InChIKeyMMFHZOFSIBFRKZ-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde
CID 86669821
6-methoxy-N,3-dipropylquinolin-2-amine
CID 63523658
6-methoxy-2-(trifluoromethyl)quinoline-3-carbaldehyde
CID 88861626
6-ethoxy-3-propan-2-yl-N-propylquinolin-2-amine
CID 63529698
N-[(6-methoxyquinazolin-2-yl)methyl]propan-1-amine
CID 146331836
7-methoxy-2-(propylamino)quinoline-3-carboxylic acid
CID 10400374
6-methoxy-2-phenylquinoline-3-carbaldehyde
CID 833679
7-methoxy-3-(methoxymethyl)-N-propylquinolin-2-amine
CID 62194206
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
2-(3-formyl-6-methoxyquinolin-2-yl)sulfanylacetic acid
CID 3731867
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 44754453

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde?
The IUPAC name of 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde (CID 86669817) is 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde?
The canonical SMILES for 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde is CCCNc1nc2ccc(OC)cc2cc1C=O.
What is the InChIKey of 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde?
The InChIKey is MMFHZOFSIBFRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-6-15-14-11(9-17)7-10-8-12(18-2)4-5-13(10)16-14/h4-5,7-9H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde?
6-methoxy-2-(propylamino)quinoline-3-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(propylamino)quinoline-3-carbaldehyde is sourced from PubChem (CID 86669817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).