6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one

C19H14ClNO3 — CID 7347294

IUPAC6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C19H14ClNO3/c1-11-8-12-4-2-3-5-16(12)21(11)18(22)15-10-13-9-14(20)6-7-17(13)24-19(15)23/h2-7,9-11H,8H2,1H3/t11-/m0/s1
InChIKeyAZDMEALARANOBK-NSHDSACASA-N
MW339.78 g/mol
LogP4.04
Rot. Bonds1

About 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one

6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one (PubChem CID 7347294) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
PubChem CID7347294
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C19H14ClNO3/c1-11-8-12-4-2-3-5-16(12)21(11)18(22)15-10-13-9-14(20)6-7-17(13)24-19(15)23/h2-7,9-11H,8H2,1H3/t11-/m0/s1
InChIKeyAZDMEALARANOBK-NSHDSACASA-N
XLogP4.04
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 2238171
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 59294510
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2646153
(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110391480
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
N-(2,4-dichlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502910

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
The IUPAC name of 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one (CID 7347294) is 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one.
What is the SMILES notation for 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
The canonical SMILES for 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one is C[C@H]1Cc2ccccc2N1C(=O)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
The InChIKey is AZDMEALARANOBK-NSHDSACASA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-11-8-12-4-2-3-5-16(12)21(11)18(22)15-10-13-9-14(20)6-7-17(13)24-19(15)23/h2-7,9-11H,8H2,1H3/t11-/m0/s1.
What are the key properties of 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one?
6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one has a molecular weight of 339.78 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one is sourced from PubChem (CID 7347294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).