(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine

C31H26N2 — CID 126614306

IUPAC(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine
SMILESC1=CCN2C[C@@H]([C@@H]3c4ccccc4C4C=C(c5ccccc5)C=CN43)c3ccccc3C2=C1
InChIInChI=1S/C31H26N2/c1-2-10-22(11-3-1)23-17-19-33-30(20-23)26-14-6-7-15-27(26)31(33)28-21-32-18-9-8-16-29(32)25-13-5-4-12-24(25)28/h1-17,19-20,28,30-31H,18,21H2/t28-,30?,31+/m1/s1
InChIKeyRSONLCBFLRITDP-WTCQQWISSA-N
MW426.56 g/mol
LogP6.71
Rot. Bonds2

About (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine

(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine (PubChem CID 126614306) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine.

Molecular Properties

Compound Name(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine
PubChem CID126614306
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine
SMILESC1=CCN2C[C@@H]([C@@H]3c4ccccc4C4C=C(c5ccccc5)C=CN43)c3ccccc3C2=C1
InChIInChI=1S/C31H26N2/c1-2-10-22(11-3-1)23-17-19-33-30(20-23)26-14-6-7-15-27(26)31(33)28-21-32-18-9-8-16-29(32)25-13-5-4-12-24(25)28/h1-17,19-20,28,30-31H,18,21H2/t28-,30?,31+/m1/s1
InChIKeyRSONLCBFLRITDP-WTCQQWISSA-N
XLogP6.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine?
The IUPAC name of (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine (CID 126614306) is (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine.
What is the SMILES notation for (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine?
The canonical SMILES for (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine is C1=CCN2C[C@@H]([C@@H]3c4ccccc4C4C=C(c5ccccc5)C=CN43)c3ccccc3C2=C1.
What is the InChIKey of (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine?
The InChIKey is RSONLCBFLRITDP-WTCQQWISSA-N. The full InChI is InChI=1S/C31H26N2/c1-2-10-22(11-3-1)23-17-19-33-30(20-23)26-14-6-7-15-27(26)31(33)28-21-32-18-9-8-16-29(32)25-13-5-4-12-24(25)28/h1-17,19-20,28,30-31H,18,21H2/t28-,30?,31+/m1/s1.
What are the key properties of (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine?
(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine has a molecular weight of 426.56 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine is sourced from PubChem (CID 126614306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).