4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C23H20N4O3 — CID 18859300

IUPAC4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCOc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2cc(C)on2)cc1)CC3
InChIInChI=1S/C23H20N4O3/c1-14-11-21(26-30-14)25-23(28)15-3-6-18(7-4-15)27-10-9-17-12-16-5-8-19(29-2)13-20(16)24-22(17)27/h3-8,11-13H,9-10H2,1-2H3,(H,25,26,28)
InChIKeyZXMPUXBBLLLCLN-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.49
Rot. Bonds4

About 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 18859300) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID18859300
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCOc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2cc(C)on2)cc1)CC3
InChIInChI=1S/C23H20N4O3/c1-14-11-21(26-30-14)25-23(28)15-3-6-18(7-4-15)27-10-9-17-12-16-5-8-19(29-2)13-20(16)24-22(17)27/h3-8,11-13H,9-10H2,1-2H3,(H,25,26,28)
InChIKeyZXMPUXBBLLLCLN-UHFFFAOYSA-N
XLogP4.49
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859231
methyl 4-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]benzoate
CID 18859254
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
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
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 18859292
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
CID 18859211
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-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 18859143
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859173
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-pyridin-2-ylbenzamide
CID 18859131

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 18859300) is 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)Nc2cc(C)on2)cc1)CC3.
What is the InChIKey of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is ZXMPUXBBLLLCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-14-11-21(26-30-14)25-23(28)15-3-6-18(7-4-15)27-10-9-17-12-16-5-8-19(29-2)13-20(16)24-22(17)27/h3-8,11-13H,9-10H2,1-2H3,(H,25,26,28).
What are the key properties of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 18859300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).