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

C25H22FN3O4 — CID 66604464

IUPAC3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1F
InChIInChI=1S/C25H22FN3O4/c1-32-22-5-3-14(12-20(22)26)16-10-18-17-4-2-15(25(31)29-6-8-33-9-7-29)13-21(17)28-23(18)19(11-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30)
InChIKeyZVDHBUJUOUONPH-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.71
Rot. Bonds4

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

3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604464) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604464
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1F
InChIInChI=1S/C25H22FN3O4/c1-32-22-5-3-14(12-20(22)26)16-10-18-17-4-2-15(25(31)29-6-8-33-9-7-29)13-21(17)28-23(18)19(11-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30)
InChIKeyZVDHBUJUOUONPH-UHFFFAOYSA-N
XLogP3.71
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604464) is 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is ZVDHBUJUOUONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-32-22-5-3-14(12-20(22)26)16-10-18-17-4-2-15(25(31)29-6-8-33-9-7-29)13-21(17)28-23(18)19(11-16)24(27)30/h2-5,10-13,28H,6-9H2,1H3,(H2,27,30).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).