7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide

C28H30N4O4 — CID 66605279

IUPAC7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCCN(CCO)CC5)ccc4c3c2)c1
InChIInChI=1S/C28H30N4O4/c1-36-21-5-2-4-18(14-21)20-15-23-22-7-6-19(17-25(22)30-26(23)24(16-20)27(29)34)28(35)32-9-3-8-31(10-11-32)12-13-33/h2,4-7,14-17,30,33H,3,8-13H2,1H3,(H2,29,34)
InChIKeyBDEQBVZBYGZYGL-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.24
Rot. Bonds6

About 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide

7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide (PubChem CID 66605279) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
PubChem CID66605279
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCOc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCCN(CCO)CC5)ccc4c3c2)c1
InChIInChI=1S/C28H30N4O4/c1-36-21-5-2-4-18(14-21)20-15-23-22-7-6-19(17-25(22)30-26(23)24(16-20)27(29)34)28(35)32-9-3-8-31(10-11-32)12-13-33/h2,4-7,14-17,30,33H,3,8-13H2,1H3,(H2,29,34)
InChIKeyBDEQBVZBYGZYGL-UHFFFAOYSA-N
XLogP3.24
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide with MolForge

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Related Compounds

3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 66605845
2-aminoethyl-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamic acid
CID 66604202
benzyl N-[8-carbamoyl-6-(3-methoxyphenyl)-9H-carbazol-2-yl]carbamate
CID 66605755
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 63308508
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
3-(2-methoxyphenyl)-7-[4-(2-methylpropyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174744783
[4-(6-hydroxyhexyl)-1,4-diazepan-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 134701383
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
CID 66605414
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide (CID 66605279) is 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide is COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCCN(CCO)CC5)ccc4c3c2)c1.
What is the InChIKey of 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide?
The InChIKey is BDEQBVZBYGZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-36-21-5-2-4-18(14-21)20-15-23-22-7-6-19(17-25(22)30-26(23)24(16-20)27(29)34)28(35)32-9-3-8-31(10-11-32)12-13-33/h2,4-7,14-17,30,33H,3,8-13H2,1H3,(H2,29,34).
What are the key properties of 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide?
7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).