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

C24H22FN3O — CID 10200223

IUPAC6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(OC)cc1F)N2
InChIInChI=1S/C24H22FN3O/c1-29-15-7-8-17(20(25)12-15)23-19-10-13-4-2-3-5-16(13)22(19)18-11-14(24(26)27)6-9-21(18)28-23/h2-9,11-12,19,22-23,28H,10H2,1H3,(H3,26,27)
InChIKeyUKSNEKQEURQION-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.59
Rot. Bonds3

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

6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 10200223) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
PubChem CID10200223
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(OC)cc1F)N2
InChIInChI=1S/C24H22FN3O/c1-29-15-7-8-17(20(25)12-15)23-19-10-13-4-2-3-5-16(13)22(19)18-11-14(24(26)27)6-9-21(18)28-23/h2-9,11-12,19,22-23,28H,10H2,1H3,(H3,26,27)
InChIKeyUKSNEKQEURQION-UHFFFAOYSA-N
XLogP4.59
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide with MolForge

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Related Compounds

(6R,6aR,11bR)-6-(4-hydroxy-3-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 9821506
6-(2-Fluoro-5-methoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10157883
6-(2-Fluoro-4-methoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10272399
6-(2-fluoro-5-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10293583
6-[2-(2-fluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633151
6-[2-(5-fluoro-2-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633168
6-[2-(3,5-difluorophenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633180
6-[4-hydroxy-5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633213
6-[4-hydroxy-5-methoxy-2-[4-(trifluoromethoxy)phenyl]phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633247
6-[4-hydroxy-5-methoxy-2-[2-(trifluoromethoxy)phenyl]phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633251
6-[4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633256
6-[4-hydroxy-5-methoxy-2-[3-(trifluoromethoxy)phenyl]phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633259

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 10200223) is 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1ccc(OC)cc1F)N2.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The InChIKey is UKSNEKQEURQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-29-15-7-8-17(20(25)12-15)23-19-10-13-4-2-3-5-16(13)22(19)18-11-14(24(26)27)6-9-21(18)28-23/h2-9,11-12,19,22-23,28H,10H2,1H3,(H3,26,27).
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 387.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 10200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).