(7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

About (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

(7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (PubChem CID 10197133) has the molecular formula C39H46N4O7 and a molecular weight of 682.82 g/mol. Its IUPAC name is (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.

Molecular Properties

Compound Name	(7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
PubChem CID	10197133
Molecular Formula	C39H46N4O7
Molecular Weight	682.82 g/mol
Exact Mass	682.34
IUPAC Name	(7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
SMILES	COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5/C=C/CCCCCC(OC5CCCC5)C(=O)N4C3)cc(-c3cccc(C)n3)nc2c1
InChI	InChI=1S/C39H46N4O7/c1-24-11-10-15-30(40-24)32-21-35(29-18-17-27(48-2)19-31(29)41-32)50-28-20-33-36(44)42-39(38(46)47)22-25(39)12-6-4-3-5-7-16-34(37(45)43(33)23-28)49-26-13-8-9-14-26/h6,10-12,15,17-19,21,25-26,28,33-34H,3-5,7-9,13-14,16,20,22-23H2,1-2H3,(H,42,44)(H,46,47)/b12-6+
InChIKey	GKHJAFNVFLSHSE-WUXMJOGZSA-N
XLogP	5.77
TPSA	140.18 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	50
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.82
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

The IUPAC name of (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (CID 10197133) is (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.

What is the SMILES notation for (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

The canonical SMILES for (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5/C=C/CCCCCC(OC5CCCC5)C(=O)N4C3)cc(-c3cccc(C)n3)nc2c1.

What is the InChIKey of (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

The InChIKey is GKHJAFNVFLSHSE-WUXMJOGZSA-N. The full InChI is InChI=1S/C39H46N4O7/c1-24-11-10-15-30(40-24)32-21-35(29-18-17-27(48-2)19-31(29)41-32)50-28-20-33-36(44)42-39(38(46)47)22-25(39)12-6-4-3-5-7-16-34(37(45)43(33)23-28)49-26-13-8-9-14-26/h6,10-12,15,17-19,21,25-26,28,33-34H,3-5,7-9,13-14,16,20,22-23H2,1-2H3,(H,42,44)(H,46,47)/b12-6+.

What are the key properties of (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?

(7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid has a molecular weight of 682.82 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-14-cyclopentyloxy-18-[7-methoxy-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is sourced from PubChem (CID 10197133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).