N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide

C27H29N3O3 — CID 71681028

IUPACN-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide
SMILESCC1(C)OC(=O)N(C2CCC(NC(=O)c3cccc4cccnc34)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20?,21?,24-/m0/s1
InChIKeyREUQDXNRIHMJKE-VUNKPPBISA-N
MW443.55 g/mol
LogP5.25
Rot. Bonds4

About N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide

N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide (PubChem CID 71681028) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide
PubChem CID71681028
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide
SMILESCC1(C)OC(=O)N(C2CCC(NC(=O)c3cccc4cccnc34)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20?,21?,24-/m0/s1
InChIKeyREUQDXNRIHMJKE-VUNKPPBISA-N
XLogP5.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide?
The IUPAC name of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide (CID 71681028) is N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide is CC1(C)OC(=O)N(C2CCC(NC(=O)c3cccc4cccnc34)CC2)[C@H]1c1ccccc1.
What is the InChIKey of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide?
The InChIKey is REUQDXNRIHMJKE-VUNKPPBISA-N. The full InChI is InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20?,21?,24-/m0/s1.
What are the key properties of N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide?
N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]quinoline-8-carboxamide is sourced from PubChem (CID 71681028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).