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

C25H23N3O4 — CID 66604045

IUPAC3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)c1
InChIInChI=1S/C25H23N3O4/c1-31-18-4-2-3-15(11-18)17-12-20-19-6-5-16(25(30)28-7-9-32-10-8-28)14-22(19)27-23(20)21(13-17)24(26)29/h2-6,11-14,27H,7-10H2,1H3,(H2,26,29)
InChIKeyADZCTJDBATVUAU-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.57
Rot. Bonds4

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

3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604045) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604045
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)c1
InChIInChI=1S/C25H23N3O4/c1-31-18-4-2-3-15(11-18)17-12-20-19-6-5-16(25(30)28-7-9-32-10-8-28)14-22(19)27-23(20)21(13-17)24(26)29/h2-6,11-14,27H,7-10H2,1H3,(H2,26,29)
InChIKeyADZCTJDBATVUAU-UHFFFAOYSA-N
XLogP3.57
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604045) is 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is ADZCTJDBATVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-18-4-2-3-15(11-18)17-12-20-19-6-5-16(25(30)28-7-9-32-10-8-28)14-22(19)27-23(20)21(13-17)24(26)29/h2-6,11-14,27H,7-10H2,1H3,(H2,26,29).
What are the key properties of 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).