3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C26H22ClN3O2 — CID 11201611

IUPAC3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1
InChIInChI=1S/C26H22ClN3O2/c1-29(2)13-15-8-10-17-16(12-15)9-11-20(27)22(17)24-23(25(31)28-26(24)32)19-14-30(3)21-7-5-4-6-18(19)21/h4-12,14H,13H2,1-3H3,(H,28,31,32)
InChIKeyOQICVMYHDNIADM-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.61
Rot. Bonds4

About 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 11201611) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID11201611
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1
InChIInChI=1S/C26H22ClN3O2/c1-29(2)13-15-8-10-17-16(12-15)9-11-20(27)22(17)24-23(25(31)28-26(24)32)19-14-30(3)21-7-5-4-6-18(19)21/h4-12,14H,13H2,1-3H3,(H,28,31,32)
InChIKeyOQICVMYHDNIADM-UHFFFAOYSA-N
XLogP4.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(1-amino-2-methylpropyl)-2-chloronaphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 68681946
3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
CID 15952078
3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11568465
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780242
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-[6-(2-methoxyethyl)-1H-indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 57195272
3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 10296124
methoxy-methylidene-[1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]azanium
CID 142057078
3-[8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5311363
3-[(8R)-8-[(dimethylamino)methyl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 26369070
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 11201611) is 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is CN(C)Cc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c(Cl)ccc2c1.
What is the InChIKey of 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is OQICVMYHDNIADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-29(2)13-15-8-10-17-16(12-15)9-11-20(27)22(17)24-23(25(31)28-26(24)32)19-14-30(3)21-7-5-4-6-18(19)21/h4-12,14H,13H2,1-3H3,(H,28,31,32).
What are the key properties of 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 443.93 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-[(dimethylamino)methyl]naphthalen-1-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11201611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).