2-(benzotriazol-1-yl)-6-propan-2-ylquinoline

C18H16N4 — CID 166442505

IUPAC2-(benzotriazol-1-yl)-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2nc(-n3nnc4ccccc43)ccc2c1
InChIInChI=1S/C18H16N4/c1-12(2)13-7-9-15-14(11-13)8-10-18(19-15)22-17-6-4-3-5-16(17)20-21-22/h3-12H,1-2H3
InChIKeyLQZFCGUPEKEKOY-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.09
Rot. Bonds2

About 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline

2-(benzotriazol-1-yl)-6-propan-2-ylquinoline (PubChem CID 166442505) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-6-propan-2-ylquinoline
PubChem CID166442505
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name2-(benzotriazol-1-yl)-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2nc(-n3nnc4ccccc43)ccc2c1
InChIInChI=1S/C18H16N4/c1-12(2)13-7-9-15-14(11-13)8-10-18(19-15)22-17-6-4-3-5-16(17)20-21-22/h3-12H,1-2H3
InChIKeyLQZFCGUPEKEKOY-UHFFFAOYSA-N
XLogP4.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)quinoxaline
CID 11096911
2-piperazin-1-yl-6-propan-2-ylquinoline
CID 82166087
6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine
CID 167157133
4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 59718934
1-(6-chloropyridazin-3-yl)benzotriazole
CID 43213118
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
ethane;2-propan-2-ylnaphthalene
CID 142226111
1-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]benzotriazole
CID 102444439
6-(benzotriazol-1-yl)pyridin-3-amine
CID 29082003
1-(5-chloro-2-pyridinyl)benzotriazole
CID 12588335
1-[(1S)-1-naphthalen-2-yl-2-nitroethyl]benzotriazole
CID 102178699
1-[5-(1-propoxybutyl)-2-pyridinyl]benzotriazole
CID 166703380

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline?
The IUPAC name of 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline (CID 166442505) is 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline.
What is the SMILES notation for 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline?
The canonical SMILES for 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline is CC(C)c1ccc2nc(-n3nnc4ccccc43)ccc2c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline?
The InChIKey is LQZFCGUPEKEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-12(2)13-7-9-15-14(11-13)8-10-18(19-15)22-17-6-4-3-5-16(17)20-21-22/h3-12H,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline?
2-(benzotriazol-1-yl)-6-propan-2-ylquinoline has a molecular weight of 288.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-6-propan-2-ylquinoline is sourced from PubChem (CID 166442505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).