(4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

C22H21NO — CID 23729559

IUPAC(4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESc1ccc2c(c1)N[C@@H](c1cccc3ccccc13)[C@@H]1CCCO[C@H]21
InChIInChI=1S/C22H21NO/c1-2-9-16-15(7-1)8-5-11-17(16)21-19-12-6-14-24-22(19)18-10-3-4-13-20(18)23-21/h1-5,7-11,13,19,21-23H,6,12,14H2/t19-,21-,22+/m0/s1
InChIKeyALKUXGOXAUZUGW-ILWGZMRPSA-N
MW315.42 g/mol
LogP5.47
Rot. Bonds1

About (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

(4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (PubChem CID 23729559) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name(4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
PubChem CID23729559
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SMILESc1ccc2c(c1)N[C@@H](c1cccc3ccccc13)[C@@H]1CCCO[C@H]21
InChIInChI=1S/C22H21NO/c1-2-9-16-15(7-1)8-5-11-17(16)21-19-12-6-14-24-22(19)18-10-3-4-13-20(18)23-21/h1-5,7-11,13,19,21-23H,6,12,14H2/t19-,21-,22+/m0/s1
InChIKeyALKUXGOXAUZUGW-ILWGZMRPSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(4aS,5R,10bS)-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11369917
(4aR,5S,10bR)-5-(2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11748458
(4aR,5R,10bR)-5-(2-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11119990
(4aS,5R,10bS)-5-(3-chlorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 102394845
4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
CID 135070930
(4aS,5R,10bS)-5-(3-chloro-1-benzothiophen-2-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 15440331
(4aR,5S,10bR)-5-(3-phenoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11245263
(4aS,5S,10bS)-5-thiophen-2-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 110282049
4-[(4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]benzonitrile
CID 7305158
(4aR,5S,10bR)-5-(9-methylcarbazol-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 56641869
(4aS,5S,10bS)-5-(4-fluorophenyl)-9-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 102588333
(4aR,5R,10bR)-5-(4-nitrophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11243835

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The IUPAC name of (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CID 23729559) is (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is c1ccc2c(c1)N[C@@H](c1cccc3ccccc13)[C@@H]1CCCO[C@H]21.
What is the InChIKey of (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
The InChIKey is ALKUXGOXAUZUGW-ILWGZMRPSA-N. The full InChI is InChI=1S/C22H21NO/c1-2-9-16-15(7-1)8-5-11-17(16)21-19-12-6-14-24-22(19)18-10-3-4-13-20(18)23-21/h1-5,7-11,13,19,21-23H,6,12,14H2/t19-,21-,22+/m0/s1.
What are the key properties of (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline?
(4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline has a molecular weight of 315.42 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,10bS)-5-naphthalen-1-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 23729559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).