methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate

C17H14FN5O4 — CID 146313963

IUPACmethyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate
SMILESCNc1cc(F)cc2cc(C(=O)Nc3cnc(C(=O)OC)nc3)c(=O)[nH]c12
InChIInChI=1S/C17H14FN5O4/c1-19-12-5-9(18)3-8-4-11(16(25)23-13(8)12)15(24)22-10-6-20-14(21-7-10)17(26)27-2/h3-7,19H,1-2H3,(H,22,24)(H,23,25)
InChIKeyCWPVHNZVEWNURJ-UHFFFAOYSA-N
MW371.33 g/mol
LogP1.54
Rot. Bonds4

About methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate

methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate (PubChem CID 146313963) has the molecular formula C17H14FN5O4 and a molecular weight of 371.33 g/mol. Its IUPAC name is methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate
PubChem CID146313963
Molecular FormulaC17H14FN5O4
Molecular Weight371.33 g/mol
Exact Mass371.10
IUPAC Namemethyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate
SMILESCNc1cc(F)cc2cc(C(=O)Nc3cnc(C(=O)OC)nc3)c(=O)[nH]c12
InChIInChI=1S/C17H14FN5O4/c1-19-12-5-9(18)3-8-4-11(16(25)23-13(8)12)15(24)22-10-6-20-14(21-7-10)17(26)27-2/h3-7,19H,1-2H3,(H,22,24)(H,23,25)
InChIKeyCWPVHNZVEWNURJ-UHFFFAOYSA-N
XLogP1.54
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate with MolForge

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Related Compounds

4-[5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 146313884
3-[(dipentylamino)methyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
CID 146313859
3-[2-[cyclohexyl(methyl)amino]ethyl]-4-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
CID 150261862
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
methyl 4-chloro-3-[(6,8-dimethyl-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110295986
4-[(3-aminopiperidin-1-yl)methyl]-5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]cyclohepta-2,4,6-triene-1-carboxylic acid
CID 146340346
N-(3-fluoro-5-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245029
2-(4-fluorobenzoyl)-N-quinolin-3-ylbenzamide
CID 39975789
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
8-(methylamino)-2-oxo-1H-quinoline-3-carboxamide
CID 156628535

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate (CID 146313963) is methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate is CNc1cc(F)cc2cc(C(=O)Nc3cnc(C(=O)OC)nc3)c(=O)[nH]c12.
What is the InChIKey of methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate?
The InChIKey is CWPVHNZVEWNURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O4/c1-19-12-5-9(18)3-8-4-11(16(25)23-13(8)12)15(24)22-10-6-20-14(21-7-10)17(26)27-2/h3-7,19H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate?
methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate has a molecular weight of 371.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-fluoro-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 146313963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).