(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide

C26H38N2O2 — CID 176678023

IUPAC(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide
SMILESCCC/C(C)=C1/CC2C(=CC(C(=O)N(C)C(C)C)CN2C)c2ccc(OC)c(C)c21
InChIInChI=1S/C26H38N2O2/c1-9-10-17(4)21-14-23-22(20-11-12-24(30-8)18(5)25(20)21)13-19(15-27(23)6)26(29)28(7)16(2)3/h11-13,16,19,23H,9-10,14-15H2,1-8H3/b21-17-
InChIKeyHMSMFOREFDCAHD-FXBPSFAMSA-N
MW410.60 g/mol
LogP5.16
Rot. Bonds5

About (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide

(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide (PubChem CID 176678023) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide.

Molecular Properties

Compound Name(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide
PubChem CID176678023
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide
SMILESCCC/C(C)=C1/CC2C(=CC(C(=O)N(C)C(C)C)CN2C)c2ccc(OC)c(C)c21
InChIInChI=1S/C26H38N2O2/c1-9-10-17(4)21-14-23-22(20-11-12-24(30-8)18(5)25(20)21)13-19(15-27(23)6)26(29)28(7)16(2)3/h11-13,16,19,23H,9-10,14-15H2,1-8H3/b21-17-
InChIKeyHMSMFOREFDCAHD-FXBPSFAMSA-N
XLogP5.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide?
The IUPAC name of (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide (CID 176678023) is (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide.
What is the SMILES notation for (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide?
The canonical SMILES for (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide is CCC/C(C)=C1/CC2C(=CC(C(=O)N(C)C(C)C)CN2C)c2ccc(OC)c(C)c21.
What is the InChIKey of (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide?
The InChIKey is HMSMFOREFDCAHD-FXBPSFAMSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-9-10-17(4)21-14-23-22(20-11-12-24(30-8)18(5)25(20)21)13-19(15-27(23)6)26(29)28(7)16(2)3/h11-13,16,19,23H,9-10,14-15H2,1-8H3/b21-17-.
What are the key properties of (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide?
(6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide has a molecular weight of 410.60 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-methoxy-N,4,7-trimethyl-6-pentan-2-ylidene-N-propan-2-yl-2,3,4a,5-tetrahydrobenzo[f]quinoline-2-carboxamide is sourced from PubChem (CID 176678023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).