(7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide

About (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide

(7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide (PubChem CID 173125649) has the molecular formula C35H39N5O6 and a molecular weight of 625.73 g/mol. Its IUPAC name is (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide.

Molecular Properties

Compound Name	(7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide
PubChem CID	173125649
Molecular Formula	C35H39N5O6
Molecular Weight	625.73 g/mol
Exact Mass	625.29
IUPAC Name	(7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide
SMILES	COc1ccc2c(OC3CC4C(=O)NC5(C=O)CC5/C=C/CCCCN(C(N)=O)C(=O)C4C3)cc(-c3cccc(C)n3)nc2c1C
InChI	InChI=1S/C35H39N5O6/c1-20-9-8-11-27(37-20)28-17-30(24-12-13-29(45-3)21(2)31(24)38-28)46-23-15-25-26(16-23)33(43)40(34(36)44)14-7-5-4-6-10-22-18-35(22,19-41)39-32(25)42/h6,8-13,17,19,22-23,25-26H,4-5,7,14-16,18H2,1-3H3,(H2,36,44)(H,39,42)/b10-6+
InChIKey	HPKAFPGIFJRSFF-UXBLZVDNSA-N
XLogP	4.42
TPSA	153.81 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.73
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide?

The IUPAC name of (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide (CID 173125649) is (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide.

What is the SMILES notation for (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide?

The canonical SMILES for (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide is COc1ccc2c(OC3CC4C(=O)NC5(C=O)CC5/C=C/CCCCN(C(N)=O)C(=O)C4C3)cc(-c3cccc(C)n3)nc2c1C.

What is the InChIKey of (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide?

The InChIKey is HPKAFPGIFJRSFF-UXBLZVDNSA-N. The full InChI is InChI=1S/C35H39N5O6/c1-20-9-8-11-27(37-20)28-17-30(24-12-13-29(45-3)21(2)31(24)38-28)46-23-15-25-26(16-23)33(43)40(34(36)44)14-7-5-4-6-10-22-18-35(22,19-41)39-32(25)42/h6,8-13,17,19,22-23,25-26H,4-5,7,14-16,18H2,1-3H3,(H2,36,44)(H,39,42)/b10-6+.

What are the key properties of (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide?

(7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide has a molecular weight of 625.73 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-4-formyl-17-[7-methoxy-8-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-yl]oxy-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-13-carboxamide is sourced from PubChem (CID 173125649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).