(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide

C19H15N3O3 — CID 42107448

IUPAC(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H15N3O3/c1-19(11-12-4-2-3-5-14(12)17(23)25-19)18(24)22-13-6-7-15-16(10-13)21-9-8-20-15/h2-10H,11H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyMCATUPPVRUPLAB-LJQANCHMSA-N
MW333.35 g/mol
LogP2.74
Rot. Bonds2

About (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide

(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide (PubChem CID 42107448) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide
PubChem CID42107448
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide
SMILESC[C@]1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H15N3O3/c1-19(11-12-4-2-3-5-14(12)17(23)25-19)18(24)22-13-6-7-15-16(10-13)21-9-8-20-15/h2-10H,11H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyMCATUPPVRUPLAB-LJQANCHMSA-N
XLogP2.74
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 86921779
3-methyl-N-naphthalen-2-yl-1-oxo-4H-isochromene-3-carboxamide
CID 3922014
N-(4-acetylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 4903202
(3R)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 8569714
(3R)-N-(4-bromophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 1096273
(3S)-N-(4-tert-butylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 8569512
methyl 3-[[(3R)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate
CID 41048388
3-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 134039899
N-(1-benzothiophen-5-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55477990
(3R)-N-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 41046982
(3R)-3-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
CID 829963
(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 8572196

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide?
The IUPAC name of (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide (CID 42107448) is (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide.
What is the SMILES notation for (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide?
The canonical SMILES for (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide is C[C@]1(C(=O)Nc2ccc3nccnc3c2)Cc2ccccc2C(=O)O1.
What is the InChIKey of (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide?
The InChIKey is MCATUPPVRUPLAB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-19(11-12-4-2-3-5-14(12)17(23)25-19)18(24)22-13-6-7-15-16(10-13)21-9-8-20-15/h2-10H,11H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide?
(3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-oxo-N-quinoxalin-6-yl-4H-isochromene-3-carboxamide is sourced from PubChem (CID 42107448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).