6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one

C19H16ClNO2 — CID 2161858

IUPAC6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl
InChIInChI=1S/C19H16ClNO2/c1-12-8-18-15(10-16(12)20)14(9-19(22)23-18)11-21-7-6-13-4-2-3-5-17(13)21/h2-5,8-10H,6-7,11H2,1H3
InChIKeyKYZFLUPURAXETE-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.32
Rot. Bonds2

About 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one

6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one (PubChem CID 2161858) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one.

Molecular Properties

Compound Name6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one
PubChem CID2161858
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl
InChIInChI=1S/C19H16ClNO2/c1-12-8-18-15(10-16(12)20)14(9-19(22)23-18)11-21-7-6-13-4-2-3-5-17(13)21/h2-5,8-10H,6-7,11H2,1H3
InChIKeyKYZFLUPURAXETE-UHFFFAOYSA-N
XLogP4.32
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one?
The IUPAC name of 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one (CID 2161858) is 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one.
What is the SMILES notation for 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one?
The canonical SMILES for 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one is Cc1cc2oc(=O)cc(CN3CCc4ccccc43)c2cc1Cl.
What is the InChIKey of 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one?
The InChIKey is KYZFLUPURAXETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-12-8-18-15(10-16(12)20)14(9-19(22)23-18)11-21-7-6-13-4-2-3-5-17(13)21/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one?
6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one has a molecular weight of 325.80 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2,3-dihydroindol-1-ylmethyl)-7-methylchromen-2-one is sourced from PubChem (CID 2161858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).