(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one

C10H11NO3 — CID 12903425

IUPAC(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESC[C@@H]1CC(=O)c2c(O)cc(O)cc2N1
InChIInChI=1S/C10H11NO3/c1-5-2-8(13)10-7(11-5)3-6(12)4-9(10)14/h3-5,11-12,14H,2H2,1H3/t5-/m1/s1
InChIKeyBNEPFPNDLPNULY-RXMQYKEDSA-N
MW193.20 g/mol
LogP1.48
Rot. Bonds

About (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one

(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 12903425) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID12903425
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one
SMILESC[C@@H]1CC(=O)c2c(O)cc(O)cc2N1
InChIInChI=1S/C10H11NO3/c1-5-2-8(13)10-7(11-5)3-6(12)4-9(10)14/h3-5,11-12,14H,2H2,1H3/t5-/m1/s1
InChIKeyBNEPFPNDLPNULY-RXMQYKEDSA-N
XLogP1.48
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one (CID 12903425) is (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one is C[C@@H]1CC(=O)c2c(O)cc(O)cc2N1.
What is the InChIKey of (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is BNEPFPNDLPNULY-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11NO3/c1-5-2-8(13)10-7(11-5)3-6(12)4-9(10)14/h3-5,11-12,14H,2H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one?
(2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 193.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 12903425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).