6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

C23H20ClN3 — CID 10109918

IUPAC6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(Cl)cc1)N2
InChIInChI=1S/C23H20ClN3/c24-16-8-5-13(6-9-16)22-19-11-14-3-1-2-4-17(14)21(19)18-12-15(23(25)26)7-10-20(18)27-22/h1-10,12,19,21-22,27H,11H2,(H3,25,26)
InChIKeyPODXRODBDGLNDZ-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.10
Rot. Bonds2

About 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide

6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 10109918) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
PubChem CID10109918
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(Cl)cc1)N2
InChIInChI=1S/C23H20ClN3/c24-16-8-5-13(6-9-16)22-19-11-14-3-1-2-4-17(14)21(19)18-12-15(23(25)26)7-10-20(18)27-22/h1-10,12,19,21-22,27H,11H2,(H3,25,26)
InChIKeyPODXRODBDGLNDZ-UHFFFAOYSA-N
XLogP5.10
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Androgen receptor antagonist 4
CID 3118749
14-(4-Chlorophenyl)-13-azapentacyclo[14.2.1.02,15.03,12.04,9]nonadeca-3(12),4,6,8,10-pentaene
CID 162664677
6-(3-chloro-4-fluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10111066
6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10111164
6-[3-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10136073
6-(2,5-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10156302
6-(3,4-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10177475
6-(2,4-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10199468
6-(2-chloro-6-fluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10222084
6-(2-Chloro-4-fluorophenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10222982
6-[4-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10223084
6-(2,3,4,5,6-pentafluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10224529

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The IUPAC name of 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 10109918) is 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.
What is the SMILES notation for 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The canonical SMILES for 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(Cl)cc1)N2.
What is the InChIKey of 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The InChIKey is PODXRODBDGLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3/c24-16-8-5-13(6-9-16)22-19-11-14-3-1-2-4-17(14)21(19)18-12-15(23(25)26)7-10-20(18)27-22/h1-10,12,19,21-22,27H,11H2,(H3,25,26).
What are the key properties of 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 373.89 g/mol, XLogP of 5.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 10109918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).