4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one

C29H23ClF2N4O4 — CID 147759758

IUPAC4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one
SMILESCCC(C(=O)Cc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O
InChIInChI=1S/C29H23ClF2N4O4/c1-3-24(25(37)11-16-4-7-21-23(10-16)34-9-8-33-21)36-15-27(39-2)20(13-28(36)38)19-12-17(30)5-6-18(19)22-14-26(29(31)32)40-35-22/h4-10,12-15,24,29H,3,11H2,1-2H3
InChIKeyHDVDCTJNHVJZJO-UHFFFAOYSA-N
MW564.98 g/mol
LogP6.48
Rot. Bonds9

About 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one

4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one (PubChem CID 147759758) has the molecular formula C29H23ClF2N4O4 and a molecular weight of 564.98 g/mol. Its IUPAC name is 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one
PubChem CID147759758
Molecular FormulaC29H23ClF2N4O4
Molecular Weight564.98 g/mol
Exact Mass564.14
IUPAC Name4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one
SMILESCCC(C(=O)Cc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O
InChIInChI=1S/C29H23ClF2N4O4/c1-3-24(25(37)11-16-4-7-21-23(10-16)34-9-8-33-21)36-15-27(39-2)20(13-28(36)38)19-12-17(30)5-6-18(19)22-14-26(29(31)32)40-35-22/h4-10,12-15,24,29H,3,11H2,1-2H3
InChIKeyHDVDCTJNHVJZJO-UHFFFAOYSA-N
XLogP6.48
TPSA100.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.98
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one with MolForge

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Related Compounds

5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide
CID 158742390
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylquinolin-6-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 158279277
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-1-[2-oxo-1-[3-(trifluoromethyl)quinoxalin-6-yl]pentan-3-yl]pyridin-2-one
CID 146803044
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-1-[(3S)-1-[2-(difluoromethyl)indazol-5-yl]-2-oxopentan-3-yl]-5-methoxypyridin-2-one
CID 147679116
2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135205719
4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
CID 160580148
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 157250809
4-[(3S)-3-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-[(2-methylpropan-2-yl)oxy]-2-oxopentyl]benzoic acid
CID 157484128
2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4,4-difluoro-N-quinoxalin-6-ylbutanamide
CID 135205462
4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 147607856
2-[4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-quinoxalin-6-ylhexanamide
CID 135205951
methyl 4-[3-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2R)-oxan-2-yl]-2-oxobutyl]benzoate
CID 159517725

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one (CID 147759758) is 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one is CCC(C(=O)Cc1ccc2nccnc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(C(F)F)on2)cc1=O.
What is the InChIKey of 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one?
The InChIKey is HDVDCTJNHVJZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF2N4O4/c1-3-24(25(37)11-16-4-7-21-23(10-16)34-9-8-33-21)36-15-27(39-2)20(13-28(36)38)19-12-17(30)5-6-18(19)22-14-26(29(31)32)40-35-22/h4-10,12-15,24,29H,3,11H2,1-2H3.
What are the key properties of 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one?
4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one has a molecular weight of 564.98 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[5-(difluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-1-(2-oxo-1-quinoxalin-6-ylpentan-3-yl)pyridin-2-one is sourced from PubChem (CID 147759758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).