(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid

C21H24N2O3 — CID 154812289

IUPAC(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1cc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C21H24N2O3/c1-13-7-19(22-18-9-15-4-2-3-14(15)8-17(13)18)23-10-16-5-6-26-12-21(16,11-23)20(24)25/h7-9,16H,2-6,10-12H2,1H3,(H,24,25)/t16-,21+/m0/s1
InChIKeyIFSRLJAZXRIHKV-HRAATJIYSA-N
MW352.43 g/mol
LogP2.96
Rot. Bonds2

About (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid

(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid (PubChem CID 154812289) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid.

Molecular Properties

Compound Name(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
PubChem CID154812289
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
SMILESCc1cc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc2cc3c(cc12)CCC3
InChIInChI=1S/C21H24N2O3/c1-13-7-19(22-18-9-15-4-2-3-14(15)8-17(13)18)23-10-16-5-6-26-12-21(16,11-23)20(24)25/h7-9,16H,2-6,10-12H2,1H3,(H,24,25)/t16-,21+/m0/s1
InChIKeyIFSRLJAZXRIHKV-HRAATJIYSA-N
XLogP2.96
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid with MolForge

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Related Compounds

[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811354
(3aR,7aR)-2-(6-amino-2-pyrrolidin-1-ylpyrimidin-4-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid;formic acid
CID 154918014
(3aR,7aR)-2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811365
formic acid;4-methyl-2-(3-pyridin-4-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 154918425
4-methyl-2-(3-piperidin-1-ylazetidin-1-yl)-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 135090647
formic acid;3-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-7-oxa-3,10-diazaspiro[5.6]dodecan-11-one
CID 154922930
(3aR,6aR)-5-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-2-(oxan-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72921695
(3aR,6aR)-5-(5-cyano-4,6-dimethyl-2-pyridinyl)-2-(cyclobutylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72937360
(3aR,7aR)-2-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811655
(3aS,6aR)-2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063399
(3aR,7aR)-2-(6-methylquinolin-8-yl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154807422
(3aR,7aR)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811552

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid?
The IUPAC name of (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid (CID 154812289) is (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid.
What is the SMILES notation for (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid?
The canonical SMILES for (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid is Cc1cc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc2cc3c(cc12)CCC3.
What is the InChIKey of (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid?
The InChIKey is IFSRLJAZXRIHKV-HRAATJIYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-7-19(22-18-9-15-4-2-3-14(15)8-17(13)18)23-10-16-5-6-26-12-21(16,11-23)20(24)25/h7-9,16H,2-6,10-12H2,1H3,(H,24,25)/t16-,21+/m0/s1.
What are the key properties of (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid?
(3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid is sourced from PubChem (CID 154812289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).