3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C20H19N3O — CID 118076857

IUPAC3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESNC1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C20H19N3O/c21-17-12-22-18-10-3-4-11-19(18)23(20(17)24)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,17,22H,12-13,21H2
InChIKeyFSVVNDJIEUUXCV-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.13
Rot. Bonds2

About 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one

3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 118076857) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID118076857
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESNC1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C20H19N3O/c21-17-12-22-18-10-3-4-11-19(18)23(20(17)24)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,17,22H,12-13,21H2
InChIKeyFSVVNDJIEUUXCV-UHFFFAOYSA-N
XLogP3.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 118076857) is 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one is NC1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is FSVVNDJIEUUXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c21-17-12-22-18-10-3-4-11-19(18)23(20(17)24)13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,17,22H,12-13,21H2.
What are the key properties of 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 317.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 118076857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).