1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline

C13H18N4 — CID 61396775

IUPAC1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCCN=[N+]=[N-]
InChIInChI=1S/C13H18N4/c1-11-7-8-12-5-2-3-6-13(12)17(11)10-4-9-15-16-14/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyQFJMCTOSODEUHF-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.53
Rot. Bonds4

About 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline

1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 61396775) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID61396775
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCCN=[N+]=[N-]
InChIInChI=1S/C13H18N4/c1-11-7-8-12-5-2-3-6-13(12)17(11)10-4-9-15-16-14/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyQFJMCTOSODEUHF-UHFFFAOYSA-N
XLogP3.53
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
2-methyl-1-(2-phenylsulfanylethyl)-3,4-dihydro-2H-quinoline
CID 79319370
2-methyl-1-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 54945544
2-amino-2-ethyl-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802759
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
2-ethyl-2-(methylamino)-5-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentanenitrile
CID 106802760
2,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexanimidamide
CID 106711911
6-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyridin-3-amine
CID 107339948
3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 65350451
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82972988
4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(propan-2-ylamino)butanenitrile
CID 63028861

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline (CID 61396775) is 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1CCCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QFJMCTOSODEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-7-8-12-5-2-3-6-13(12)17(11)10-4-9-15-16-14/h2-3,5-6,11H,4,7-10H2,1H3.
What are the key properties of 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline?
1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 230.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 61396775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).