N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide

C26H27FN4O5 — CID 15987228

IUPACN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)c(C)nc2c1
InChIInChI=1S/C26H27FN4O5/c1-16-21(11-17-3-5-19(34-2)13-23(17)29-16)25(32)28-14-20-15-31(26(33)36-20)18-4-6-24(22(27)12-18)30-7-9-35-10-8-30/h3-6,11-13,20H,7-10,14-15H2,1-2H3,(H,28,32)/t20-/m0/s1
InChIKeyOKKZHHJQJNBVLL-FQEVSTJZSA-N
MW494.52 g/mol
LogP3.28
Rot. Bonds6

About N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 15987228) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID15987228
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC NameN-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)c(C)nc2c1
InChIInChI=1S/C26H27FN4O5/c1-16-21(11-17-3-5-19(34-2)13-23(17)29-16)25(32)28-14-20-15-31(26(33)36-20)18-4-6-24(22(27)12-18)30-7-9-35-10-8-30/h3-6,11-13,20H,7-10,14-15H2,1-2H3,(H,28,32)/t20-/m0/s1
InChIKeyOKKZHHJQJNBVLL-FQEVSTJZSA-N
XLogP3.28
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 15987228) is N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)NC[C@H]3CN(c4ccc(N5CCOCC5)c(F)c4)C(=O)O3)c(C)nc2c1.
What is the InChIKey of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is OKKZHHJQJNBVLL-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-16-21(11-17-3-5-19(34-2)13-23(17)29-16)25(32)28-14-20-15-31(26(33)36-20)18-4-6-24(22(27)12-18)30-7-9-35-10-8-30/h3-6,11-13,20H,7-10,14-15H2,1-2H3,(H,28,32)/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 15987228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).