3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline

C30H23ClN4 — CID 11855081

IUPAC3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline
SMILESCn1ccc2cccc(CNc3cccc(-c4c(-c5ccccc5)nnc5c(Cl)cccc45)c3)c21
InChIInChI=1S/C30H23ClN4/c1-35-17-16-21-10-5-12-23(30(21)35)19-32-24-13-6-11-22(18-24)27-25-14-7-15-26(31)29(25)34-33-28(27)20-8-3-2-4-9-20/h2-18,32H,19H2,1H3
InChIKeyDFDLNHGSXIIXAJ-UHFFFAOYSA-N
MW475.00 g/mol
LogP7.72
Rot. Bonds5

About 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline

3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline (PubChem CID 11855081) has the molecular formula C30H23ClN4 and a molecular weight of 475.00 g/mol. Its IUPAC name is 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline.

Molecular Properties

Compound Name3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline
PubChem CID11855081
Molecular FormulaC30H23ClN4
Molecular Weight475.00 g/mol
Exact Mass474.16
IUPAC Name3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline
SMILESCn1ccc2cccc(CNc3cccc(-c4c(-c5ccccc5)nnc5c(Cl)cccc45)c3)c21
InChIInChI=1S/C30H23ClN4/c1-35-17-16-21-10-5-12-23(30(21)35)19-32-24-13-6-11-22(18-24)27-25-14-7-15-26(31)29(25)34-33-28(27)20-8-3-2-4-9-20/h2-18,32H,19H2,1H3
InChIKeyDFDLNHGSXIIXAJ-UHFFFAOYSA-N
XLogP7.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline?
The IUPAC name of 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline (CID 11855081) is 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline.
What is the SMILES notation for 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline?
The canonical SMILES for 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline is Cn1ccc2cccc(CNc3cccc(-c4c(-c5ccccc5)nnc5c(Cl)cccc45)c3)c21.
What is the InChIKey of 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline?
The InChIKey is DFDLNHGSXIIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN4/c1-35-17-16-21-10-5-12-23(30(21)35)19-32-24-13-6-11-22(18-24)27-25-14-7-15-26(31)29(25)34-33-28(27)20-8-3-2-4-9-20/h2-18,32H,19H2,1H3.
What are the key properties of 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline?
3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline has a molecular weight of 475.00 g/mol, XLogP of 7.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-3-phenylcinnolin-4-yl)-N-[(1-methylindol-7-yl)methyl]aniline is sourced from PubChem (CID 11855081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).