methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate

C19H16FN3O3 — CID 87025782

IUPACmethyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1
InChIInChI=1S/C19H16FN3O3/c1-11-16(8-12-6-7-13(20)9-17(12)21-11)18(24)22-14-4-3-5-15(10-14)23-19(25)26-2/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyJMYLQONIEIWWOY-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.11
Rot. Bonds3

About methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate

methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate (PubChem CID 87025782) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
PubChem CID87025782
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Namemethyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1
InChIInChI=1S/C19H16FN3O3/c1-11-16(8-12-6-7-13(20)9-17(12)21-11)18(24)22-14-4-3-5-15(10-14)23-19(25)26-2/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyJMYLQONIEIWWOY-UHFFFAOYSA-N
XLogP4.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299194
N-[4-(difluoromethoxy)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520644
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 86901460
N-(3,5-difluorophenyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 34319138
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate (CID 87025782) is methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)c2cc3ccc(F)cc3nc2C)c1.
What is the InChIKey of methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate?
The InChIKey is JMYLQONIEIWWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-16(8-12-6-7-13(20)9-17(12)21-11)18(24)22-14-4-3-5-15(10-14)23-19(25)26-2/h3-10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate?
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate has a molecular weight of 353.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 87025782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).