azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone

C20H26N2O2 — CID 108980420

IUPACazepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
SMILESO=C(N1CCCCCC1)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C20H26N2O2/c23-18(21-13-5-1-2-6-14-21)20(11-12-20)19(24)22-15-7-9-16-8-3-4-10-17(16)22/h3-4,8,10H,1-2,5-7,9,11-15H2
InChIKeyHOCJCJQHHBZBLN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.15
Rot. Bonds2

About azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone

azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone (PubChem CID 108980420) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
PubChem CID108980420
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nameazepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
SMILESO=C(N1CCCCCC1)C1(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C20H26N2O2/c23-18(21-13-5-1-2-6-14-21)20(11-12-20)19(24)22-15-7-9-16-8-3-4-10-17(16)22/h3-4,8,10H,1-2,5-7,9,11-15H2
InChIKeyHOCJCJQHHBZBLN-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975831
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973642
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108978374
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 108977368
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone?
The IUPAC name of azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone (CID 108980420) is azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone?
The canonical SMILES for azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone is O=C(N1CCCCCC1)C1(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone?
The InChIKey is HOCJCJQHHBZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18(21-13-5-1-2-6-14-21)20(11-12-20)19(24)22-15-7-9-16-8-3-4-10-17(16)22/h3-4,8,10H,1-2,5-7,9,11-15H2.
What are the key properties of azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone?
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone is sourced from PubChem (CID 108980420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).