[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol

C20H26N2O4 — CID 154811354

IUPAC[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
SMILESCOc1cc2nc(N3C[C@@H]4CCOC[C@]4(CO)C3)cc(C)c2cc1OC
InChIInChI=1S/C20H26N2O4/c1-13-6-19(21-16-8-18(25-3)17(24-2)7-15(13)16)22-9-14-4-5-26-12-20(14,10-22)11-23/h6-8,14,23H,4-5,9-12H2,1-3H3/t14-,20+/m0/s1
InChIKeyOYMYWIPZXYPXQP-VBKZILBWSA-N
MW358.44 g/mol
LogP2.40
Rot. Bonds4

About [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol

[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 154811354) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
PubChem CID154811354
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
SMILESCOc1cc2nc(N3C[C@@H]4CCOC[C@]4(CO)C3)cc(C)c2cc1OC
InChIInChI=1S/C20H26N2O4/c1-13-6-19(21-16-8-18(25-3)17(24-2)7-15(13)16)22-9-14-4-5-26-12-20(14,10-22)11-23/h6-8,14,23H,4-5,9-12H2,1-3H3/t14-,20+/m0/s1
InChIKeyOYMYWIPZXYPXQP-VBKZILBWSA-N
XLogP2.40
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
9-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138385159
4-(6,7-dimethoxy-4-methylquinolin-2-yl)-2-(1-methyltetrazol-5-yl)morpholine
CID 166614364
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
CID 82577979
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-6,7-dimethoxy-4-methylquinoline;formic acid
CID 154918694
[5-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-butyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 138382002
2-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-6,7-dimethoxy-4-methylquinoline
CID 72878008
[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-(4-methoxy-3-prop-2-enylphenyl)methanone
CID 154811332
2-[4-[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-6-methylpyrimidin-2-yl]phenol
CID 137344834
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propan-1-ol
CID 70764320
[(3aS,7aR)-2-[2-(2,3-dimethylphenoxy)ethyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811583
[(3aS,7aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811415

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(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) is [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol is COc1cc2nc(N3C[C@@H]4CCOC[C@]4(CO)C3)cc(C)c2cc1OC.
What is the InChIKey of [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is OYMYWIPZXYPXQP-VBKZILBWSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-6-19(21-16-8-18(25-3)17(24-2)7-15(13)16)22-9-14-4-5-26-12-20(14,10-22)11-23/h6-8,14,23H,4-5,9-12H2,1-3H3/t14-,20+/m0/s1.
What are the key properties of [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol?
[(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 358.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aR)-2-(6,7-dimethoxy-4-methylquinolin-2-yl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 154811354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).