3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol

C19H22N4O — CID 10326852

IUPAC3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol
SMILESCN1CC(CCCO)C(n2nc3ccccc3n2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-22-13-14(7-6-12-24)19(15-8-2-5-11-18(15)22)23-20-16-9-3-4-10-17(16)21-23/h2-5,8-11,14,19,24H,6-7,12-13H2,1H3
InChIKeyZOPWNMAECPKOLM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.86
Rot. Bonds4

About 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol

3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol (PubChem CID 10326852) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol
PubChem CID10326852
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol
SMILESCN1CC(CCCO)C(n2nc3ccccc3n2)c2ccccc21
InChIInChI=1S/C19H22N4O/c1-22-13-14(7-6-12-24)19(15-8-2-5-11-18(15)22)23-20-16-9-3-4-10-17(16)21-23/h2-5,8-11,14,19,24H,6-7,12-13H2,1H3
InChIKeyZOPWNMAECPKOLM-UHFFFAOYSA-N
XLogP2.86
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol?
The IUPAC name of 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol (CID 10326852) is 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol is CN1CC(CCCO)C(n2nc3ccccc3n2)c2ccccc21.
What is the InChIKey of 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol?
The InChIKey is ZOPWNMAECPKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-13-14(7-6-12-24)19(15-8-2-5-11-18(15)22)23-20-16-9-3-4-10-17(16)21-23/h2-5,8-11,14,19,24H,6-7,12-13H2,1H3.
What are the key properties of 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol?
3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzotriazol-2-yl)-1-methyl-3,4-dihydro-2H-quinolin-3-yl]propan-1-ol is sourced from PubChem (CID 10326852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).