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

C20H19N3O — CID 118076852

IUPAC(3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESN[C@H]1CNc2ccccc2N(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/t17-/m0/s1
InChIKeyFSVVNDJIEUUXCV-KRWDZBQOSA-N
MW317.39 g/mol
LogP3.13
Rot. Bonds2

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

(3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 118076852) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name(3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID118076852
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESN[C@H]1CNc2ccccc2N(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/t17-/m0/s1
InChIKeyFSVVNDJIEUUXCV-KRWDZBQOSA-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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Related Compounds

3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 118076857
1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 82156899
(2S)-2-(methylamino)-N-[5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]propanamide
CID 155199039
3-amino-1-[(2-methylnaphthalen-1-yl)methyl]-2-oxo-4,5-dihydro-3H-1,5-benzodiazepine-7-carbonitrile
CID 90220942
(3S)-3-amino-5-benzyl-7-fluoro-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 153379977
(3R)-3-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde
CID 40899873
5-[(2,5-dimethylphenyl)methyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896312
2-[(3S)-1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 140741195
5-[(4-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896309
(1R,2R,6R,7R)-4-(naphthalen-1-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 126379961
2-[(2-oxo-3,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 62875457
tert-butyl N-[5-[(2-methylnaphthalen-1-yl)methyl]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
CID 118077391

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 118076852) is (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one is N[C@H]1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is FSVVNDJIEUUXCV-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
(3S)-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 (3S)-3-amino-5-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 118076852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).