4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C23H20N4OS — CID 18859133

IUPAC4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2nc(C)cs2)cc1)CC3
InChIInChI=1S/C23H20N4OS/c1-14-3-4-17-12-18-9-10-27(21(18)25-20(17)11-14)19-7-5-16(6-8-19)22(28)26-23-24-15(2)13-29-23/h3-8,11-13H,9-10H2,1-2H3,(H,24,26,28)
InChIKeyGBAFPUYUZJDSOQ-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.25
Rot. Bonds3

About 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 18859133) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID18859133
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2nc(C)cs2)cc1)CC3
InChIInChI=1S/C23H20N4OS/c1-14-3-4-17-12-18-9-10-27(21(18)25-20(17)11-14)19-7-5-16(6-8-19)22(28)26-23-24-15(2)13-29-23/h3-8,11-13H,9-10H2,1-2H3,(H,24,26,28)
InChIKeyGBAFPUYUZJDSOQ-UHFFFAOYSA-N
XLogP5.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
methyl 4-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]benzoate
CID 18859254
N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859249
N-(4-chloro-2-methylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859191
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
methyl 2-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18859199
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
1-(2,4-dimethylphenyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 18846763
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 18859133) is 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2nc(C)cs2)cc1)CC3.
What is the InChIKey of 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GBAFPUYUZJDSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-14-3-4-17-12-18-9-10-27(21(18)25-20(17)11-14)19-7-5-16(6-8-19)22(28)26-23-24-15(2)13-29-23/h3-8,11-13H,9-10H2,1-2H3,(H,24,26,28).
What are the key properties of 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 400.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18859133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).