1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid

C26H30N2O4 — CID 21203909

IUPAC1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
SMILESO=C(O)c1ccco1.OC(CN1CCCCCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H26N2O.C5H4O3/c24-17(15-22-13-7-1-2-8-14-22)16-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23;6-5(7)4-2-1-3-8-4/h3-6,9-12,17,24H,1-2,7-8,13-16H2;1-3H,(H,6,7)
InChIKeyTYYUPYFYEKYAOD-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.01
Rot. Bonds5

About 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid

1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid (PubChem CID 21203909) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
PubChem CID21203909
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
SMILESO=C(O)c1ccco1.OC(CN1CCCCCC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H26N2O.C5H4O3/c24-17(15-22-13-7-1-2-8-14-22)16-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23;6-5(7)4-2-1-3-8-4/h3-6,9-12,17,24H,1-2,7-8,13-16H2;1-3H,(H,6,7)
InChIKeyTYYUPYFYEKYAOD-UHFFFAOYSA-N
XLogP5.01
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-carbazol-9-yl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-2-ol
CID 112826175
1-[4-(3-carbazol-9-yl-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 87021906
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
CID 118726280
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
CID 44590277
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-2-methylindole-3-carbaldehyde
CID 6502483
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2256274
4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 46906417
4-[(2S)-3-(3-bromocarbazol-9-yl)-2-hydroxypropyl]piperazine-1-carboxylic acid
CID 69284445
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 21235149

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid?
The IUPAC name of 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid (CID 21203909) is 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid.
What is the SMILES notation for 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid?
The canonical SMILES for 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid is O=C(O)c1ccco1.OC(CN1CCCCCC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid?
The InChIKey is TYYUPYFYEKYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.C5H4O3/c24-17(15-22-13-7-1-2-8-14-22)16-23-20-11-5-3-9-18(20)19-10-4-6-12-21(19)23;6-5(7)4-2-1-3-8-4/h3-6,9-12,17,24H,1-2,7-8,13-16H2;1-3H,(H,6,7).
What are the key properties of 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid?
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid has a molecular weight of 434.54 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid is sourced from PubChem (CID 21203909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).