(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one

C16H16N2O — CID 95387057

IUPAC(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one
SMILESN[C@]1(Cc2ccccc2)Cc2ccccc2NC1=O
InChIInChI=1S/C16H16N2O/c17-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14(13)18-15(16)19/h1-9H,10-11,17H2,(H,18,19)/t16-/m1/s1
InChIKeyBCSMPEXJWNRBKC-MRXNPFEDSA-N
MW252.32 g/mol
LogP2.12
Rot. Bonds2

About (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one

(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one (PubChem CID 95387057) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one
PubChem CID95387057
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one
SMILESN[C@]1(Cc2ccccc2)Cc2ccccc2NC1=O
InChIInChI=1S/C16H16N2O/c17-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14(13)18-15(16)19/h1-9H,10-11,17H2,(H,18,19)/t16-/m1/s1
InChIKeyBCSMPEXJWNRBKC-MRXNPFEDSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one (CID 95387057) is (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one is N[C@]1(Cc2ccccc2)Cc2ccccc2NC1=O.
What is the InChIKey of (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one?
The InChIKey is BCSMPEXJWNRBKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14(13)18-15(16)19/h1-9H,10-11,17H2,(H,18,19)/t16-/m1/s1.
What are the key properties of (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one?
(3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-benzyl-1,4-dihydroquinolin-2-one is sourced from PubChem (CID 95387057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).