(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

C21H19NO3 — CID 16578464

IUPAC(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCOc1ccc(COC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C21H19NO3/c1-24-15-11-9-14(10-12-15)13-25-21(23)20-16-5-2-3-7-18(16)22-19-8-4-6-17(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3
InChIKeyUACOCROHKDPUPN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.09
Rot. Bonds4

About (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (PubChem CID 16578464) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
PubChem CID16578464
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
SMILESCOc1ccc(COC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C21H19NO3/c1-24-15-11-9-14(10-12-15)13-25-21(23)20-16-5-2-3-7-18(16)22-19-8-4-6-17(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3
InChIKeyUACOCROHKDPUPN-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2585220
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905
(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889985
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24530725
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
[2-(3-methoxyphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2146251
(5-methyl-1,2-oxazol-3-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 8943905
[2-(4-ethylphenyl)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3394606
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2672640
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23851285
2-phenoxyethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4209036
2-phenoxyethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2652516

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate (CID 16578464) is (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is COc1ccc(COC(=O)c2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
The InChIKey is UACOCROHKDPUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-15-11-9-14(10-12-15)13-25-21(23)20-16-5-2-3-7-18(16)22-19-8-4-6-17(19)20/h2-3,5,7,9-12H,4,6,8,13H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate?
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 16578464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).