(3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one

C24H26N4O — CID 162663021

IUPAC(3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one
SMILESCC(C)N1c2cc(Nc3cccc(-c4ccncc4)c3)ccc2N(C)C(=O)[C@H]1C
InChIInChI=1S/C24H26N4O/c1-16(2)28-17(3)24(29)27(4)22-9-8-21(15-23(22)28)26-20-7-5-6-19(14-20)18-10-12-25-13-11-18/h5-17,26H,1-4H3/t17-/m1/s1
InChIKeyWRQZBFPENBFWRA-QGZVFWFLSA-N
MW386.50 g/mol
LogP5.07
Rot. Bonds4

About (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one

(3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one (PubChem CID 162663021) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one
PubChem CID162663021
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one
SMILESCC(C)N1c2cc(Nc3cccc(-c4ccncc4)c3)ccc2N(C)C(=O)[C@H]1C
InChIInChI=1S/C24H26N4O/c1-16(2)28-17(3)24(29)27(4)22-9-8-21(15-23(22)28)26-20-7-5-6-19(14-20)18-10-12-25-13-11-18/h5-17,26H,1-4H3/t17-/m1/s1
InChIKeyWRQZBFPENBFWRA-QGZVFWFLSA-N
XLogP5.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one?
The IUPAC name of (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one (CID 162663021) is (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one is CC(C)N1c2cc(Nc3cccc(-c4ccncc4)c3)ccc2N(C)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one?
The InChIKey is WRQZBFPENBFWRA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16(2)28-17(3)24(29)27(4)22-9-8-21(15-23(22)28)26-20-7-5-6-19(14-20)18-10-12-25-13-11-18/h5-17,26H,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one?
(3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one has a molecular weight of 386.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-propan-2-yl-6-(3-pyridin-4-ylanilino)-3H-quinoxalin-2-one is sourced from PubChem (CID 162663021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).