(2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

C19H16N2O6 — CID 18122432

IUPAC(2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C19H16N2O6/c1-25-19(24)16-12(6-8-26-16)10-27-18(23)11-4-5-13-14(9-11)20-15-3-2-7-21(15)17(13)22/h4-6,8-9H,2-3,7,10H2,1H3
InChIKeyYSZKCANZHQDRRV-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.08
Rot. Bonds4

About (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate

(2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate (PubChem CID 18122432) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate.

Molecular Properties

Compound Name(2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
PubChem CID18122432
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C19H16N2O6/c1-25-19(24)16-12(6-8-26-16)10-27-18(23)11-4-5-13-14(9-11)20-15-3-2-7-21(15)17(13)22/h4-6,8-9H,2-3,7,10H2,1H3
InChIKeyYSZKCANZHQDRRV-UHFFFAOYSA-N
XLogP2.08
TPSA100.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate with MolForge

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Related Compounds

(3-methoxycarbonylfuran-2-yl)methyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate
CID 31125112
(2-methylphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525977
2-methylpropyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9362949
ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
CID 13171282
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525844
(3,4-dimethoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9096994
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2641435
(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 27717310
(2-phenoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525817
[2-(tert-butylamino)-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2645249
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8840648
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525896

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
The IUPAC name of (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate (CID 18122432) is (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate.
What is the SMILES notation for (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
The canonical SMILES for (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate is COC(=O)c1occc1COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
The InChIKey is YSZKCANZHQDRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-25-19(24)16-12(6-8-26-16)10-27-18(23)11-4-5-13-14(9-11)20-15-3-2-7-21(15)17(13)22/h4-6,8-9H,2-3,7,10H2,1H3.
What are the key properties of (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
(2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate has a molecular weight of 368.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylfuran-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate is sourced from PubChem (CID 18122432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).