4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline

C28H26N2O — CID 141342427

IUPAC4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2[C@H]1CCCc2ccccc21
InChIInChI=1S/C28H26N2O/c1-19-23-16-17-30(27-13-7-9-20-8-5-6-12-24(20)27)28(23)25-18-22(14-15-26(25)29-19)31-21-10-3-2-4-11-21/h2-6,8,10-12,14-15,18,27H,7,9,13,16-17H2,1H3/t27-/m0/s1
InChIKeyQLAYMTWYACQEME-MHZLTWQESA-N
MW406.53 g/mol
LogP6.78
Rot. Bonds3

About 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline

4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 141342427) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID141342427
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2[C@H]1CCCc2ccccc21
InChIInChI=1S/C28H26N2O/c1-19-23-16-17-30(27-13-7-9-20-8-5-6-12-24(20)27)28(23)25-18-22(14-15-26(25)29-19)31-21-10-3-2-4-11-21/h2-6,8,10-12,14-15,18,27H,7,9,13,16-17H2,1H3/t27-/m0/s1
InChIKeyQLAYMTWYACQEME-MHZLTWQESA-N
XLogP6.78
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline (CID 141342427) is 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline is Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2[C@H]1CCCc2ccccc21.
What is the InChIKey of 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is QLAYMTWYACQEME-MHZLTWQESA-N. The full InChI is InChI=1S/C28H26N2O/c1-19-23-16-17-30(27-13-7-9-20-8-5-6-12-24(20)27)28(23)25-18-22(14-15-26(25)29-19)31-21-10-3-2-4-11-21/h2-6,8,10-12,14-15,18,27H,7,9,13,16-17H2,1H3/t27-/m0/s1.
What are the key properties of 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline?
4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 406.53 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenoxy-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 141342427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).