N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide

C22H22FN3O3 — CID 33323552

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)c(C)nc2c1
InChIInChI=1S/C22H22FN3O3/c1-13-4-5-16(11-19(13)23)21(27)24-8-9-25-22(28)18-10-15-6-7-17(29-3)12-20(15)26-14(18)2/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUJFVFJYEDZCOCV-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 33323552) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID33323552
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)c(C)nc2c1
InChIInChI=1S/C22H22FN3O3/c1-13-4-5-16(11-19(13)23)21(27)24-8-9-25-22(28)18-10-15-6-7-17(29-3)12-20(15)26-14(18)2/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyUJFVFJYEDZCOCV-UHFFFAOYSA-N
XLogP3.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
CID 55868189
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55958782
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 33323552) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)c(C)nc2c1.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is UJFVFJYEDZCOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13-4-5-16(11-19(13)23)21(27)24-8-9-25-22(28)18-10-15-6-7-17(29-3)12-20(15)26-14(18)2/h4-7,10-12H,8-9H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 33323552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).