6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C19H22N2O2 — CID 146145710

IUPAC6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCCc1cccc(COc2cccc3c2CCCC(=O)N3)n1
InChIInChI=1S/C19H22N2O2/c1-2-6-14-7-3-8-15(20-14)13-23-18-11-5-10-17-16(18)9-4-12-19(22)21-17/h3,5,7-8,10-11H,2,4,6,9,12-13H2,1H3,(H,21,22)
InChIKeyGPVOIDVQAPVZJD-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.89
Rot. Bonds5

About 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one

6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 146145710) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID146145710
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCCc1cccc(COc2cccc3c2CCCC(=O)N3)n1
InChIInChI=1S/C19H22N2O2/c1-2-6-14-7-3-8-15(20-14)13-23-18-11-5-10-17-16(18)9-4-12-19(22)21-17/h3,5,7-8,10-11H,2,4,6,9,12-13H2,1H3,(H,21,22)
InChIKeyGPVOIDVQAPVZJD-UHFFFAOYSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 146145710) is 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one is CCCc1cccc(COc2cccc3c2CCCC(=O)N3)n1.
What is the InChIKey of 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is GPVOIDVQAPVZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-6-14-7-3-8-15(20-14)13-23-18-11-5-10-17-16(18)9-4-12-19(22)21-17/h3,5,7-8,10-11H,2,4,6,9,12-13H2,1H3,(H,21,22).
What are the key properties of 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-propyl-2-pyridinyl)methoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 146145710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).