3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C25H21Cl2N3O4 — CID 66605846

IUPAC3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1c(Cl)cc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1Cl
InChIInChI=1S/C25H21Cl2N3O4/c1-33-23-19(26)10-15(11-20(23)27)14-8-17-16-3-2-13(25(32)30-4-6-34-7-5-30)12-21(16)29-22(17)18(9-14)24(28)31/h2-3,8-12,29H,4-7H2,1H3,(H2,28,31)
InChIKeyTYWDJFYIHAMFGK-UHFFFAOYSA-N
MW498.37 g/mol
LogP4.87
Rot. Bonds4

About 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66605846) has the molecular formula C25H21Cl2N3O4 and a molecular weight of 498.37 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66605846
Molecular FormulaC25H21Cl2N3O4
Molecular Weight498.37 g/mol
Exact Mass497.09
IUPAC Name3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1c(Cl)cc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1Cl
InChIInChI=1S/C25H21Cl2N3O4/c1-33-23-19(26)10-15(11-20(23)27)14-8-17-16-3-2-13(25(32)30-4-6-34-7-5-30)12-21(16)29-22(17)18(9-14)24(28)31/h2-3,8-12,29H,4-7H2,1H3,(H2,28,31)
InChIKeyTYWDJFYIHAMFGK-UHFFFAOYSA-N
XLogP4.87
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
CID 66605414
3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604597
7-(morpholine-4-carbonyl)-3-(2-phenylethenyl)-9H-carbazole-1-carboxamide
CID 66605058
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
CID 66604497
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
CID 90383768
CID 90383768
7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
CID 66605279
3-(2-methoxyphenyl)-7-[4-(2-methylpropyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174744783
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
CID 89054149
CID 89054149

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66605846) is 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is COc1c(Cl)cc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is TYWDJFYIHAMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O4/c1-33-23-19(26)10-15(11-20(23)27)14-8-17-16-3-2-13(25(32)30-4-6-34-7-5-30)12-21(16)29-22(17)18(9-14)24(28)31/h2-3,8-12,29H,4-7H2,1H3,(H2,28,31).
What are the key properties of 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 498.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).