N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C23H17N3O3S — CID 9145624

IUPACN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESC[C@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2NC1=O
InChIInChI=1S/C23H17N3O3S/c1-13-22(27)26-18-11-14(8-9-20(18)29-13)24-23(28)16-12-19(21-7-4-10-30-21)25-17-6-3-2-5-15(16)17/h2-13H,1H3,(H,24,28)(H,26,27)/t13-/m1/s1
InChIKeyYIOUBZZBCRYEBE-CYBMUJFWSA-N
MW415.47 g/mol
LogP4.93
Rot. Bonds3

About N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 9145624) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID9145624
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC NameN-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESC[C@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2NC1=O
InChIInChI=1S/C23H17N3O3S/c1-13-22(27)26-18-11-14(8-9-20(18)29-13)24-23(28)16-12-19(21-7-4-10-30-21)25-17-6-3-2-5-15(16)17/h2-13H,1H3,(H,24,28)(H,26,27)/t13-/m1/s1
InChIKeyYIOUBZZBCRYEBE-CYBMUJFWSA-N
XLogP4.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 167888413
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-1-carboxamide
CID 41096038
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 9145624) is N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide is C[C@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2NC1=O.
What is the InChIKey of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is YIOUBZZBCRYEBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-13-22(27)26-18-11-14(8-9-20(18)29-13)24-23(28)16-12-19(21-7-4-10-30-21)25-17-6-3-2-5-15(16)17/h2-13H,1H3,(H,24,28)(H,26,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 9145624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).