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

C19H15FN2O3 — CID 2549282

IUPAC(3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C19H15FN2O3/c20-14-4-1-3-12(9-14)11-25-19(24)13-6-7-15-16(10-13)21-17-5-2-8-22(17)18(15)23/h1,3-4,6-7,9-10H,2,5,8,11H2
InChIKeyHCGPSOLWQQGTQU-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.84
Rot. Bonds3

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

(3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate (PubChem CID 2549282) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
PubChem CID2549282
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C19H15FN2O3/c20-14-4-1-3-12(9-14)11-25-19(24)13-6-7-15-16(10-13)21-17-5-2-8-22(17)18(15)23/h1,3-4,6-7,9-10H,2,5,8,11H2
InChIKeyHCGPSOLWQQGTQU-UHFFFAOYSA-N
XLogP2.84
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate (CID 2549282) is (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate is O=C(OCc1cccc(F)c1)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
The InChIKey is HCGPSOLWQQGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-14-4-1-3-12(9-14)11-25-19(24)13-6-7-15-16(10-13)21-17-5-2-8-22(17)18(15)23/h1,3-4,6-7,9-10H,2,5,8,11H2.
What are the key properties of (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate?
(3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate is sourced from PubChem (CID 2549282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).