N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C22H23ClN4O2 — CID 90489330

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C22H23ClN4O2/c23-16-8-3-6-14-15-7-4-10-18(22(15)25-21(14)16)24-19(28)12-27-20(29)11-13-5-1-2-9-17(13)26-27/h3,6,8,11,18,25H,1-2,4-5,7,9-10,12H2,(H,24,28)
InChIKeyISPFFUKFOWLCPZ-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.45
Rot. Bonds3

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 90489330) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID90489330
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C22H23ClN4O2/c23-16-8-3-6-14-15-7-4-10-18(22(15)25-21(14)16)24-19(28)12-27-20(29)11-13-5-1-2-9-17(13)26-27/h3,6,8,11,18,25H,1-2,4-5,7,9-10,12H2,(H,24,28)
InChIKeyISPFFUKFOWLCPZ-UHFFFAOYSA-N
XLogP3.45
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 90489330) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)NC1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is ISPFFUKFOWLCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-16-8-3-6-14-15-7-4-10-18(22(15)25-21(14)16)24-19(28)12-27-20(29)11-13-5-1-2-9-17(13)26-27/h3,6,8,11,18,25H,1-2,4-5,7,9-10,12H2,(H,24,28).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 90489330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).