N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide

C24H22ClFN4O3 — CID 139958264

IUPACN-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCc1noc2c1c(=O)n(C1CCCC(CNC(=O)c3cncc(F)c3)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H22ClFN4O3/c1-13-20-22(33-29-13)21-18(25)6-3-7-19(21)30(24(20)32)17-5-2-4-14(8-17)10-28-23(31)15-9-16(26)12-27-11-15/h3,6-7,9,11-12,14,17H,2,4-5,8,10H2,1H3,(H,28,31)
InChIKeyKFUVSCGBXOEBEG-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.80
Rot. Bonds4

About N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide

N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 139958264) has the molecular formula C24H22ClFN4O3 and a molecular weight of 468.92 g/mol. Its IUPAC name is N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide
PubChem CID139958264
Molecular FormulaC24H22ClFN4O3
Molecular Weight468.92 g/mol
Exact Mass468.14
IUPAC NameN-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCc1noc2c1c(=O)n(C1CCCC(CNC(=O)c3cncc(F)c3)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H22ClFN4O3/c1-13-20-22(33-29-13)21-18(25)6-3-7-19(21)30(24(20)32)17-5-2-4-14(8-17)10-28-23(31)15-9-16(26)12-27-11-15/h3,6-7,9,11-12,14,17H,2,4-5,8,10H2,1H3,(H,28,31)
InChIKeyKFUVSCGBXOEBEG-UHFFFAOYSA-N
XLogP4.80
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 22713990
2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 22713939
N-[[(1R,3S)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 139958260
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 139958335
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 139958339
N-[[3-(9-cyano-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 139958180
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 20729689
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
CID 22713974
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 10273455
[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
CID 22170149
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713714

Frequently Asked Questions

What is the IUPAC name of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide (CID 139958264) is N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide is Cc1noc2c1c(=O)n(C1CCCC(CNC(=O)c3cncc(F)c3)C1)c1cccc(Cl)c21.
What is the InChIKey of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is KFUVSCGBXOEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O3/c1-13-20-22(33-29-13)21-18(25)6-3-7-19(21)30(24(20)32)17-5-2-4-14(8-17)10-28-23(31)15-9-16(26)12-27-11-15/h3,6-7,9,11-12,14,17H,2,4-5,8,10H2,1H3,(H,28,31).
What are the key properties of N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide?
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 468.92 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 139958264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).