4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile

C27H25N3O2 — CID 10070948

IUPAC4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
SMILESCc1c(C(=O)c2ccc(C#N)c3ccccc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C27H25N3O2/c1-19-26(27(31)23-11-10-20(18-28)21-6-2-3-7-22(21)23)24-8-4-5-9-25(24)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
InChIKeyUPMARMNIDOFZNU-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.54
Rot. Bonds5

About 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile

4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile (PubChem CID 10070948) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
PubChem CID10070948
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
SMILESCc1c(C(=O)c2ccc(C#N)c3ccccc23)c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C27H25N3O2/c1-19-26(27(31)23-11-10-20(18-28)21-6-2-3-7-22(21)23)24-8-4-5-9-25(24)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3
InChIKeyUPMARMNIDOFZNU-UHFFFAOYSA-N
XLogP4.54
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile (CID 10070948) is 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile is Cc1c(C(=O)c2ccc(C#N)c3ccccc23)c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
The InChIKey is UPMARMNIDOFZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-19-26(27(31)23-11-10-20(18-28)21-6-2-3-7-22(21)23)24-8-4-5-9-25(24)30(19)13-12-29-14-16-32-17-15-29/h2-11H,12-17H2,1H3.
What are the key properties of 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile?
4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile has a molecular weight of 423.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 10070948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).