N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide

C29H24ClN5O4 — CID 71208898

IUPACN-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C29H24ClN5O4/c30-20-6-7-22-24(17-20)35(21-4-2-1-3-5-21)26(29-32-10-13-39-29)23(27(22)36)18-33-28(37)19-8-9-31-25(16-19)34-11-14-38-15-12-34/h1-10,13,16-17H,11-12,14-15,18H2,(H,33,37)
InChIKeyJJLLJTOKPYBCEQ-UHFFFAOYSA-N
MW542.00 g/mol
LogP4.46
Rot. Bonds6

About N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 71208898) has the molecular formula C29H24ClN5O4 and a molecular weight of 542.00 g/mol. Its IUPAC name is N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID71208898
Molecular FormulaC29H24ClN5O4
Molecular Weight542.00 g/mol
Exact Mass541.15
IUPAC NameN-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C29H24ClN5O4/c30-20-6-7-22-24(17-20)35(21-4-2-1-3-5-21)26(29-32-10-13-39-29)23(27(22)36)18-33-28(37)19-8-9-31-25(16-19)34-11-14-38-15-12-34/h1-10,13,16-17H,11-12,14-15,18H2,(H,33,37)
InChIKeyJJLLJTOKPYBCEQ-UHFFFAOYSA-N
XLogP4.46
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.00
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 71208898) is N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide is O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is JJLLJTOKPYBCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN5O4/c30-20-6-7-22-24(17-20)35(21-4-2-1-3-5-21)26(29-32-10-13-39-29)23(27(22)36)18-33-28(37)19-8-9-31-25(16-19)34-11-14-38-15-12-34/h1-10,13,16-17H,11-12,14-15,18H2,(H,33,37).
What are the key properties of N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 542.00 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-(1,3-oxazol-2-yl)-4-oxo-1-phenylquinolin-3-yl]methyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 71208898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).