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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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
[4-(benzotriazol-1-ylmethyl)phenyl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31844373
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762715
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117

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).