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

C21H21N5 — CID 22633252

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cn[nH]c1C)N2
InChIInChI=1S/C21H21N5/c1-11-17(10-24-26-11)20-16-8-12-4-2-3-5-14(12)19(16)15-9-13(21(22)23)6-7-18(15)25-20/h2-7,9-10,16,19-20,25H,8H2,1H3,(H3,22,23)(H,24,26)
InChIKeyHLCGIFQEFLAFMR-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.47
Rot. Bonds2

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

6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (PubChem CID 22633252) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
PubChem CID22633252
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cn[nH]c1C)N2
InChIInChI=1S/C21H21N5/c1-11-17(10-24-26-11)20-16-8-12-4-2-3-5-14(12)19(16)15-9-13(21(22)23)6-7-18(15)25-20/h2-7,9-10,16,19-20,25H,8H2,1H3,(H3,22,23)(H,24,26)
InChIKeyHLCGIFQEFLAFMR-UHFFFAOYSA-N
XLogP3.47
TPSA90.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

6-[4-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10223084
6-(5-bromo-2-methoxyphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10114666
[5-(2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)-2-methoxyphenyl]boronic acid
CID 10223450
6-(2-hydroxy-3-methoxy-5-nitrophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10202968
6-[2-(2,4-dimethoxyphenyl)-4-hydroxy-5-methoxyphenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633150
6-(4-hydroxy-5-methoxy-2-thiophen-3-ylphenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633310
6-(4-hydroxynaphthalen-1-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10180378
6-(4-hydroxy-3-methoxy-5-nitrophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10296322
(6aR)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 67561140
CID 59120617
CID 59120617
6-(4-bromothiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10181612
3-[2-(2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl)-4-methoxy-5-phenylmethoxyphenoxy]benzoic acid
CID 22633230

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide (CID 22633252) is 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CC1C(c1cn[nH]c1C)N2.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
The InChIKey is HLCGIFQEFLAFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-11-17(10-24-26-11)20-16-8-12-4-2-3-5-14(12)19(16)15-9-13(21(22)23)6-7-18(15)25-20/h2-7,9-10,16,19-20,25H,8H2,1H3,(H3,22,23)(H,24,26).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide?
6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide has a molecular weight of 343.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide is sourced from PubChem (CID 22633252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).