5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one

C18H20N2O3 — CID 71925487

IUPAC5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCOc1ccc2c(c1)CCCN(C(=O)c1c[nH]c(C)cc1=O)C2
InChIInChI=1S/C18H20N2O3/c1-12-8-17(21)16(10-19-12)18(22)20-7-3-4-13-9-15(23-2)6-5-14(13)11-20/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,19,21)
InChIKeyPXBOVBXDQXSVNZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds2

About 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one

5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 71925487) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one
PubChem CID71925487
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCOc1ccc2c(c1)CCCN(C(=O)c1c[nH]c(C)cc1=O)C2
InChIInChI=1S/C18H20N2O3/c1-12-8-17(21)16(10-19-12)18(22)20-7-3-4-13-9-15(23-2)6-5-14(13)11-20/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,19,21)
InChIKeyPXBOVBXDQXSVNZ-UHFFFAOYSA-N
XLogP2.28
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one with MolForge

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Related Compounds

(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836
1-[2-(4-methoxybenzoyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]ethanone
CID 90881725
(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-(5-methyl-1-propan-2-yltriazol-4-yl)methanone
CID 154797046
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxy-1H-quinolin-4-one
CID 91638334
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
N-[(3S)-1,1-dioxothiolan-3-yl]-7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 95335063
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one (CID 71925487) is 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one is COc1ccc2c(c1)CCCN(C(=O)c1c[nH]c(C)cc1=O)C2.
What is the InChIKey of 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is PXBOVBXDQXSVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-8-17(21)16(10-19-12)18(22)20-7-3-4-13-9-15(23-2)6-5-14(13)11-20/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,19,21).
What are the key properties of 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one?
5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 71925487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).