(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline

C22H19NO — CID 132534994

IUPAC(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline
SMILESc1ccc([C@H]2c3ccccc3N[C@H]3c4ccccc4OC[C@H]23)cc1
InChIInChI=1S/C22H19NO/c1-2-8-15(9-3-1)21-16-10-4-6-12-19(16)23-22-17-11-5-7-13-20(17)24-14-18(21)22/h1-13,18,21-23H,14H2/t18-,21+,22+/m1/s1
InChIKeyCISBRTCNASEGEI-COPCDDAFSA-N
MW313.40 g/mol
LogP4.99
Rot. Bonds1

About (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline

(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline (PubChem CID 132534994) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline.

Molecular Properties

Compound Name(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline
PubChem CID132534994
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline
SMILESc1ccc([C@H]2c3ccccc3N[C@H]3c4ccccc4OC[C@H]23)cc1
InChIInChI=1S/C22H19NO/c1-2-8-15(9-3-1)21-16-10-4-6-12-19(16)23-22-17-11-5-7-13-20(17)24-14-18(21)22/h1-13,18,21-23H,14H2/t18-,21+,22+/m1/s1
InChIKeyCISBRTCNASEGEI-COPCDDAFSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline with MolForge

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Related Compounds

(3R,3aS,9bR)-3-phenyl-3,3a,4,9b-tetrahydro-1H-chromeno[4,3-c][1,2]oxazole
CID 11075981
(6aS,7R,12aS)-2-fluoro-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b][1,5]naphthyridine
CID 155513688
(2S,3S,3aS,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole
CID 11896515
(3aR,4R,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11870146
4-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 20703979
(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-5H-quinolino[3,2-c]quinolin-6-one
CID 134962981
(2S,3S,3aR,9bR)-2,3-diphenyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrol-1-ium
CID 11896518
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
N-tert-butyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-c]pyrazol-3-amine
CID 76986044
(4S,4aR)-4-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 57149201
(2S,3S)-3-phenyl-2,3-dihydro-1H-indole-2-carboxamide
CID 100944790
(6aS,12aR)-9-methoxy-7,7-dimethyl-6,6a,12,12a-tetrahydrochromeno[4,3-b]quinoline
CID 11254917

Frequently Asked Questions

What is the IUPAC name of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline?
The IUPAC name of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline (CID 132534994) is (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline.
What is the SMILES notation for (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline?
The canonical SMILES for (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline is c1ccc([C@H]2c3ccccc3N[C@H]3c4ccccc4OC[C@H]23)cc1.
What is the InChIKey of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline?
The InChIKey is CISBRTCNASEGEI-COPCDDAFSA-N. The full InChI is InChI=1S/C22H19NO/c1-2-8-15(9-3-1)21-16-10-4-6-12-19(16)23-22-17-11-5-7-13-20(17)24-14-18(21)22/h1-13,18,21-23H,14H2/t18-,21+,22+/m1/s1.
What are the key properties of (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline?
(6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline has a molecular weight of 313.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,7S,12aR)-7-phenyl-6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline is sourced from PubChem (CID 132534994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).