N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide

C31H36N6O5S — CID 150285650

IUPACN-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4ncc(N5CCCCC5)s4)nc3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C31H36N6O5S/c1-39-26-18-23-24(19-27(26)41-15-5-10-36-13-16-40-17-14-36)32-9-8-25(23)42-22-6-7-28(33-20-22)35-30(38)31-34-21-29(43-31)37-11-3-2-4-12-37/h6-9,18-21H,2-5,10-17H2,1H3,(H,33,35,38)
InChIKeyGGNHFXIENBYSJV-UHFFFAOYSA-N
MW604.73 g/mol
LogP5.23
Rot. Bonds11

About N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide

N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide (PubChem CID 150285650) has the molecular formula C31H36N6O5S and a molecular weight of 604.73 g/mol. Its IUPAC name is N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide
PubChem CID150285650
Molecular FormulaC31H36N6O5S
Molecular Weight604.73 g/mol
Exact Mass604.25
IUPAC NameN-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide
SMILESCOc1cc2c(Oc3ccc(NC(=O)c4ncc(N5CCCCC5)s4)nc3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C31H36N6O5S/c1-39-26-18-23-24(19-27(26)41-15-5-10-36-13-16-40-17-14-36)32-9-8-25(23)42-22-6-7-28(33-20-22)35-30(38)31-34-21-29(43-31)37-11-3-2-4-12-37/h6-9,18-21H,2-5,10-17H2,1H3,(H,33,35,38)
InChIKeyGGNHFXIENBYSJV-UHFFFAOYSA-N
XLogP5.23
TPSA111.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide (CID 150285650) is N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4ncc(N5CCCCC5)s4)nc3)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide?
The InChIKey is GGNHFXIENBYSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O5S/c1-39-26-18-23-24(19-27(26)41-15-5-10-36-13-16-40-17-14-36)32-9-8-25(23)42-22-6-7-28(33-20-22)35-30(38)31-34-21-29(43-31)37-11-3-2-4-12-37/h6-9,18-21H,2-5,10-17H2,1H3,(H,33,35,38).
What are the key properties of N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide?
N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide has a molecular weight of 604.73 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-5-piperidin-1-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 150285650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).