ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate

C27H21NO4 — CID 4188647

IUPACethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2c1ccc1cc(OC)ccc12
InChIInChI=1S/C27H21NO4/c1-3-32-27(30)22-16-25(26(29)20-9-8-17-6-4-5-7-18(17)14-20)28-23-13-11-21(31-2)15-19(23)10-12-24(22)28/h4-16H,3H2,1-2H3
InChIKeyJHBFCOKETJBNMI-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.66
Rot. Bonds5

About ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate

ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate (PubChem CID 4188647) has the molecular formula C27H21NO4 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
PubChem CID4188647
Molecular FormulaC27H21NO4
Molecular Weight423.47 g/mol
Exact Mass423.15
IUPAC Nameethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2c1ccc1cc(OC)ccc12
InChIInChI=1S/C27H21NO4/c1-3-32-27(30)22-16-25(26(29)20-9-8-17-6-4-5-7-18(17)14-20)28-23-13-11-21(31-2)15-19(23)10-12-24(22)28/h4-16H,3H2,1-2H3
InChIKeyJHBFCOKETJBNMI-UHFFFAOYSA-N
XLogP5.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 1-(4-bromobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 980306
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 988020
ethyl 3-(3,4,5-trimethoxybenzoyl)naphtho[2,1-e]indolizine-1-carboxylate
CID 168677969
ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 11-(4-fluorobenzoyl)pyrrolo[1,2-a][1,10]phenanthroline-9-carboxylate
CID 5215884
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564
ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
CID 170530629
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-(3-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxamide
CID 69375269
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate (CID 4188647) is ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc3ccccc3c2)n2c1ccc1cc(OC)ccc12.
What is the InChIKey of ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
The InChIKey is JHBFCOKETJBNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO4/c1-3-32-27(30)22-16-25(26(29)20-9-8-17-6-4-5-7-18(17)14-20)28-23-13-11-21(31-2)15-19(23)10-12-24(22)28/h4-16H,3H2,1-2H3.
What are the key properties of ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate?
ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 4188647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).