(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone

C18H13ClN2O — CID 148934600

IUPAC(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)c3ccc4c(c3)C=NC4)cc2c1Cl
InChIInChI=1S/C18H13ClN2O/c1-10-2-5-15-14(17(10)19)7-16(21-15)18(22)11-3-4-12-8-20-9-13(12)6-11/h2-7,9,21H,8H2,1H3
InChIKeyPMPKGZRPJHOAJI-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.29
Rot. Bonds2

About (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone

(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone (PubChem CID 148934600) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone
PubChem CID148934600
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)c3ccc4c(c3)C=NC4)cc2c1Cl
InChIInChI=1S/C18H13ClN2O/c1-10-2-5-15-14(17(10)19)7-16(21-15)18(22)11-3-4-12-8-20-9-13(12)6-11/h2-7,9,21H,8H2,1H3
InChIKeyPMPKGZRPJHOAJI-UHFFFAOYSA-N
XLogP4.29
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone?
The IUPAC name of (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone (CID 148934600) is (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone.
What is the SMILES notation for (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone?
The canonical SMILES for (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone is Cc1ccc2[nH]c(C(=O)c3ccc4c(c3)C=NC4)cc2c1Cl.
What is the InChIKey of (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone?
The InChIKey is PMPKGZRPJHOAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c1-10-2-5-15-14(17(10)19)7-16(21-15)18(22)11-3-4-12-8-20-9-13(12)6-11/h2-7,9,21H,8H2,1H3.
What are the key properties of (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone?
(4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone has a molecular weight of 308.77 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methyl-1H-indol-2-yl)-(1H-isoindol-5-yl)methanone is sourced from PubChem (CID 148934600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).