N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide

C18H20FN5O3S — CID 118953951

IUPACN-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(c1ccnc(NCc2cc3ccc(F)cc3[nH]c2=O)n1)S(C)(=O)=O
InChIInChI=1S/C18H20FN5O3S/c1-11(2)24(28(3,26)27)16-6-7-20-18(23-16)21-10-13-8-12-4-5-14(19)9-15(12)22-17(13)25/h4-9,11H,10H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyOCVAJLOLPVDELR-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.24
Rot. Bonds6

About N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide

N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide (PubChem CID 118953951) has the molecular formula C18H20FN5O3S and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide
PubChem CID118953951
Molecular FormulaC18H20FN5O3S
Molecular Weight405.46 g/mol
Exact Mass405.13
IUPAC NameN-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(c1ccnc(NCc2cc3ccc(F)cc3[nH]c2=O)n1)S(C)(=O)=O
InChIInChI=1S/C18H20FN5O3S/c1-11(2)24(28(3,26)27)16-6-7-20-18(23-16)21-10-13-8-12-4-5-14(19)9-15(12)22-17(13)25/h4-9,11H,10H2,1-3H3,(H,22,25)(H,20,21,23)
InChIKeyOCVAJLOLPVDELR-UHFFFAOYSA-N
XLogP2.24
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56907270
6-chloro-3-[[[4-[methylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 146240371
6-chloro-3-[[[4-[2-methylpropylsulfanyl(propan-2-yl)amino]pyrimidin-2-yl]amino]methyl]-1H-quinolin-2-one
CID 145049135
7-fluoro-3-[(2-methoxy-5-pyridin-4-ylanilino)methyl]-1H-quinolin-2-one
CID 167956310
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 166392137
N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide
CID 145049123
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110674030
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383634
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
CID 167866692
7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one
CID 167942598

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide (CID 118953951) is N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide is CC(C)N(c1ccnc(NCc2cc3ccc(F)cc3[nH]c2=O)n1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is OCVAJLOLPVDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3S/c1-11(2)24(28(3,26)27)16-6-7-20-18(23-16)21-10-13-8-12-4-5-14(19)9-15(12)22-17(13)25/h4-9,11H,10H2,1-3H3,(H,22,25)(H,20,21,23).
What are the key properties of N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide?
N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 405.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 118953951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).