(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone

C17H17N3O2 — CID 91673348

IUPAC(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN=Cc2cc(N)ccc21
InChIInChI=1S/C17H17N3O2/c1-22-16-5-3-2-4-14(16)17(21)20-9-8-19-11-12-10-13(18)6-7-15(12)20/h2-7,10-11H,8-9,18H2,1H3
InChIKeyVDZKESOUAMITEA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.36
Rot. Bonds2

About (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone

(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 91673348) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID91673348
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN=Cc2cc(N)ccc21
InChIInChI=1S/C17H17N3O2/c1-22-16-5-3-2-4-14(16)17(21)20-9-8-19-11-12-10-13(18)6-7-15(12)20/h2-7,10-11H,8-9,18H2,1H3
InChIKeyVDZKESOUAMITEA-UHFFFAOYSA-N
XLogP2.36
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(3,5-dimethoxyphenyl)methanone
CID 91673334
1-(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-2-(2-methylphenoxy)ethanone
CID 91673355
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701373
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91675331
(2-methoxyphenyl)-[1-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]methanone
CID 91911914
[4-[(5-amino-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 17129235
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
(2-methoxyphenyl)-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751870

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone (CID 91673348) is (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN=Cc2cc(N)ccc21.
What is the InChIKey of (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is VDZKESOUAMITEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-16-5-3-2-4-14(16)17(21)20-9-8-19-11-12-10-13(18)6-7-15(12)20/h2-7,10-11H,8-9,18H2,1H3.
What are the key properties of (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone?
(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 295.34 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 91673348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).