2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline

C15H20N4 — CID 106781173

IUPAC2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1nncc1C1CC(C)Nc2ccccc21
InChIInChI=1S/C15H20N4/c1-3-8-19-15(10-16-18-19)13-9-11(2)17-14-7-5-4-6-12(13)14/h4-7,10-11,13,17H,3,8-9H2,1-2H3
InChIKeyOBXQGLVFQBCNAV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.02
Rot. Bonds3

About 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline

2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781173) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781173
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCn1nncc1C1CC(C)Nc2ccccc21
InChIInChI=1S/C15H20N4/c1-3-8-19-15(10-16-18-19)13-9-11(2)17-14-7-5-4-6-12(13)14/h4-7,10-11,13,17H,3,8-9H2,1-2H3
InChIKeyOBXQGLVFQBCNAV-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808
5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
CID 114690653
2-methyl-4-(2,4,6-trimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 115503382
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 131014008
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
4-(3-fluoro-2-methylphenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 115502890
(2R,4S)-4-butoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 25242139
4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 114081115
N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
CID 114691580
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline (CID 106781173) is 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline is CCCn1nncc1C1CC(C)Nc2ccccc21.
What is the InChIKey of 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OBXQGLVFQBCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-8-19-15(10-16-18-19)13-9-11(2)17-14-7-5-4-6-12(13)14/h4-7,10-11,13,17H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline?
2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propyltriazol-4-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).