(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate

C30H28N2O2 — CID 53362715

IUPAC(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate
SMILESCCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c1-3
InChIInChI=1S/C30H28N2O2/c1-2-17-32-18-16-21-10-5-13-24-28(21)26(32)19-22-11-7-15-27(29(22)24)34-30(33)31-25-14-6-9-20-8-3-4-12-23(20)25/h3-15,26H,2,16-19H2,1H3,(H,31,33)
InChIKeyGSEIFCYYFLMJKI-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.98
Rot. Bonds4

About (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate

(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate (PubChem CID 53362715) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate
PubChem CID53362715
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC Name(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate
SMILESCCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c1-3
InChIInChI=1S/C30H28N2O2/c1-2-17-32-18-16-21-10-5-13-24-28(21)26(32)19-22-11-7-15-27(29(22)24)34-30(33)31-25-14-6-9-20-8-3-4-12-23(20)25/h3-15,26H,2,16-19H2,1H3,(H,31,33)
InChIKeyGSEIFCYYFLMJKI-UHFFFAOYSA-N
XLogP6.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate?
The IUPAC name of (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate (CID 53362715) is (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate.
What is the SMILES notation for (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate?
The canonical SMILES for (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate is CCCN1CCc2cccc3c2C1Cc1cccc(OC(=O)Nc2cccc4ccccc24)c1-3.
What is the InChIKey of (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate?
The InChIKey is GSEIFCYYFLMJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-2-17-32-18-16-21-10-5-13-24-28(21)26(32)19-22-11-7-15-27(29(22)24)34-30(33)31-25-14-6-9-20-8-3-4-12-23(20)25/h3-15,26H,2,16-19H2,1H3,(H,31,33).
What are the key properties of (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate?
(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate has a molecular weight of 448.57 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 53362715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).