(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone

C19H19BrN2O — CID 167990063

IUPAC(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2ccncc2C1)N1CCCCc2c(Br)cccc21
InChIInChI=1S/C19H19BrN2O/c20-17-5-3-6-18-16(17)4-1-2-9-22(18)19(23)14-10-13-7-8-21-12-15(13)11-14/h3,5-8,12,14H,1-2,4,9-11H2
InChIKeyQCGFURLMFXLWGS-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.93
Rot. Bonds1

About (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone

(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone (PubChem CID 167990063) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone
PubChem CID167990063
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2ccncc2C1)N1CCCCc2c(Br)cccc21
InChIInChI=1S/C19H19BrN2O/c20-17-5-3-6-18-16(17)4-1-2-9-22(18)19(23)14-10-13-7-8-21-12-15(13)11-14/h3,5-8,12,14H,1-2,4,9-11H2
InChIKeyQCGFURLMFXLWGS-UHFFFAOYSA-N
XLogP3.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 134971218
N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide
CID 135071424
N-(3-bromo-4-pyridinyl)-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135071582
N-(3-bromo-2,5,6-trideuterio-4-pyridinyl)-N-methyl-2-phenylpropanamide
CID 135071720
N-(3-bromo-4-pyridinyl)-N-methyl-2-phenylpropanamide
CID 135073254
1-(6-Bromo-2,3-dihydroindol-1-yl)-3-pyridin-3-ylpropan-1-one
CID 56788356
5-(5-Bromo-pyridin-3-yl)-1-methyl-1,3-dihydro-indol-2-one
CID 66788512
2-(5-Bromo-2-pyridinyl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 69120685
3-(4-bromo-1H-indol-3-yl)-1-(3-methyl-2-propylpiperidin-1-yl)butan-1-one
CID 145630295
4-Bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one
CID 146306754
4-Bromo-3,3-dimethyl-1-pyridin-4-ylindol-2-one
CID 146306778
1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one
CID 153229240

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone?
The IUPAC name of (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone (CID 167990063) is (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone.
What is the SMILES notation for (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone?
The canonical SMILES for (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone is O=C(C1Cc2ccncc2C1)N1CCCCc2c(Br)cccc21.
What is the InChIKey of (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone?
The InChIKey is QCGFURLMFXLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c20-17-5-3-6-18-16(17)4-1-2-9-22(18)19(23)14-10-13-7-8-21-12-15(13)11-14/h3,5-8,12,14H,1-2,4,9-11H2.
What are the key properties of (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone?
(6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone has a molecular weight of 371.28 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methanone is sourced from PubChem (CID 167990063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).