8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one

C27H24ClN3O2 — CID 169269351

IUPAC8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one
SMILESCc1cc(C(C)Nc2ccc(Cl)nc2C)c2oc(-c3ccc4cc[nH]c4c3)c(C)c(=O)c2c1
InChIInChI=1S/C27H24ClN3O2/c1-14-11-20(16(3)30-22-7-8-24(28)31-17(22)4)27-21(12-14)25(32)15(2)26(33-27)19-6-5-18-9-10-29-23(18)13-19/h5-13,16,29-30H,1-4H3
InChIKeyJWZRBFRUTSVSIF-UHFFFAOYSA-N
MW457.96 g/mol
LogP7.09
Rot. Bonds4

About 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one

8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one (PubChem CID 169269351) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one.

Molecular Properties

Compound Name8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one
PubChem CID169269351
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC Name8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one
SMILESCc1cc(C(C)Nc2ccc(Cl)nc2C)c2oc(-c3ccc4cc[nH]c4c3)c(C)c(=O)c2c1
InChIInChI=1S/C27H24ClN3O2/c1-14-11-20(16(3)30-22-7-8-24(28)31-17(22)4)27-21(12-14)25(32)15(2)26(33-27)19-6-5-18-9-10-29-23(18)13-19/h5-13,16,29-30H,1-4H3
InChIKeyJWZRBFRUTSVSIF-UHFFFAOYSA-N
XLogP7.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one with MolForge

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Related Compounds

5-[8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-4-oxochromen-2-yl]-1H-pyridin-2-one
CID 169269679
8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(3-fluorophenyl)-3,6-dimethylchromen-4-one
CID 169269929
8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 169270702
8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(3-ethynylphenyl)-3,6-dimethylchromen-4-one
CID 174170919
3-[8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-4-oxochromen-2-yl]benzonitrile
CID 169269488
5-[8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-4-oxochromen-2-yl]pyridine-3-carbonitrile
CID 169269487
8-[(1R)-1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-(1-methylpyrazolo[5,4-b]pyridin-6-yl)chromen-4-one
CID 169270082
8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-ethylsulfanyl-3,6-dimethylchromen-4-one
CID 170339360
methyl 6-chloro-3-[1-[3,6-dimethyl-2-(2-methyl-1H-indol-5-yl)-4-oxochromen-8-yl]ethylamino]pyridine-2-carboxylate
CID 175552309
6-chloro-3-[1-[3,6-dimethyl-4-oxo-2-(1H-pyrazol-4-yl)chromen-8-yl]ethylamino]pyridine-2-carboxylic acid
CID 174167403
3,6-dimethyl-8-[(1R)-1-[(7-methyl-1H-indol-6-yl)amino]ethyl]-2-pyridin-3-ylchromen-4-one
CID 169269768
6-chloro-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-N-hydroxypyridine-2-carboxamide
CID 169269774

Frequently Asked Questions

What is the IUPAC name of 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one?
The IUPAC name of 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one (CID 169269351) is 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one.
What is the SMILES notation for 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one?
The canonical SMILES for 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one is Cc1cc(C(C)Nc2ccc(Cl)nc2C)c2oc(-c3ccc4cc[nH]c4c3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one?
The InChIKey is JWZRBFRUTSVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-14-11-20(16(3)30-22-7-8-24(28)31-17(22)4)27-21(12-14)25(32)15(2)26(33-27)19-6-5-18-9-10-29-23(18)13-19/h5-13,16,29-30H,1-4H3.
What are the key properties of 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one?
8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one has a molecular weight of 457.96 g/mol, XLogP of 7.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(6-chloro-2-methyl-3-pyridinyl)amino]ethyl]-2-(1H-indol-6-yl)-3,6-dimethylchromen-4-one is sourced from PubChem (CID 169269351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).