6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide

C27H27N3O4 — CID 66604921

IUPAC6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCCCOc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCOCC5)cc4c3c2)c1
InChIInChI=1S/C27H27N3O4/c1-2-10-34-20-5-3-4-17(13-20)19-15-22-21-14-18(27(32)30-8-11-33-12-9-30)6-7-24(21)29-25(22)23(16-19)26(28)31/h3-7,13-16,29H,2,8-12H2,1H3,(H2,28,31)
InChIKeyUEKYUVIQMYQIRA-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.35
Rot. Bonds6

About 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide

6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide (PubChem CID 66604921) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide
PubChem CID66604921
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCCCOc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCOCC5)cc4c3c2)c1
InChIInChI=1S/C27H27N3O4/c1-2-10-34-20-5-3-4-17(13-20)19-15-22-21-14-18(27(32)30-8-11-33-12-9-30)6-7-24(21)29-25(22)23(16-19)26(28)31/h3-7,13-16,29H,2,8-12H2,1H3,(H2,28,31)
InChIKeyUEKYUVIQMYQIRA-UHFFFAOYSA-N
XLogP4.35
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide (CID 66604921) is 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide is CCCOc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCOCC5)cc4c3c2)c1.
What is the InChIKey of 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide?
The InChIKey is UEKYUVIQMYQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-2-10-34-20-5-3-4-17(13-20)19-15-22-21-14-18(27(32)30-8-11-33-12-9-30)6-7-24(21)29-25(22)23(16-19)26(28)31/h3-7,13-16,29H,2,8-12H2,1H3,(H2,28,31).
What are the key properties of 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide?
6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-3-(3-propoxyphenyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).