(4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C19H21NO — CID 124562887

IUPAC(4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CCCO[C@@H]21
InChIInChI=1S/C19H21NO/c1-13-7-5-10-15-17(13)20-18(14-8-3-2-4-9-14)16-11-6-12-21-19(15)16/h2-5,7-10,16,18-20H,6,11-12H2,1H3/t16-,18+,19-/m0/s1
InChIKeyDWUFEZNROBRNMQ-UHOSZYNNSA-N
MW279.38 g/mol
LogP4.63
Rot. Bonds1

About (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 124562887) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID124562887
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESCc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CCCO[C@@H]21
InChIInChI=1S/C19H21NO/c1-13-7-5-10-15-17(13)20-18(14-8-3-2-4-9-14)16-11-6-12-21-19(15)16/h2-5,7-10,16,18-20H,6,11-12H2,1H3/t16-,18+,19-/m0/s1
InChIKeyDWUFEZNROBRNMQ-UHOSZYNNSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol
CID 124637225
4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-6-ol
CID 66849500
3-(7,9-dimethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl)phenol
CID 75553160
(4aS,5R,10bS)-5-(3-chlorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 102394845
(4aS,10bS)-7,9-dimethyl-5-(4-methylsulfanylphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46367415
(4aS,5R,10bS)-5-phenyl-9-propan-2-yl-7-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 58956332
7-cyclopropyl-5-thiophen-3-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 58956771
methyl 8-phenyl-13-oxa-4-thia-7-azatricyclo[7.4.0.02,6]trideca-2,5-diene-5-carboxylate
CID 25094643
(4aR,5S,10bR)-9-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 7449335
5-(2-methoxyphenyl)-7,9-dimethyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 43912682
(3aR,4R,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11870146
4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
CID 135070930

Frequently Asked Questions

What is the IUPAC name of (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 124562887) is (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is Cc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CCCO[C@@H]21.
What is the InChIKey of (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is DWUFEZNROBRNMQ-UHOSZYNNSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-7-5-10-15-17(13)20-18(14-8-3-2-4-9-14)16-11-6-12-21-19(15)16/h2-5,7-10,16,18-20H,6,11-12H2,1H3/t16-,18+,19-/m0/s1.
What are the key properties of (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 279.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5S,10bR)-7-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 124562887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).