3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone

C19H20N4O — CID 53051732

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone
SMILESCCCn1nnc2cc(C(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C19H20N4O/c1-2-11-23-18-10-9-15(13-16(18)20-21-23)19(24)22-12-5-7-14-6-3-4-8-17(14)22/h3-4,6,8-10,13H,2,5,7,11-12H2,1H3
InChIKeyYYLBUMIEKAEZAW-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.43
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone (PubChem CID 53051732) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone
PubChem CID53051732
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone
SMILESCCCn1nnc2cc(C(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C19H20N4O/c1-2-11-23-18-10-9-15(13-16(18)20-21-23)19(24)22-12-5-7-14-6-3-4-8-17(14)22/h3-4,6,8-10,13H,2,5,7,11-12H2,1H3
InChIKeyYYLBUMIEKAEZAW-UHFFFAOYSA-N
XLogP3.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone (CID 53051732) is 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone is CCCn1nnc2cc(C(=O)N3CCCc4ccccc43)ccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone?
The InChIKey is YYLBUMIEKAEZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-11-23-18-10-9-15(13-16(18)20-21-23)19(24)22-12-5-7-14-6-3-4-8-17(14)22/h3-4,6,8-10,13H,2,5,7,11-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 53051732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).