N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C18H13F2N3O2 — CID 9095334

IUPACN-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C18H13F2N3O2/c19-11-4-6-14(13(20)9-11)22-17(24)10-3-5-12-15(8-10)21-16-2-1-7-23(16)18(12)25/h3-6,8-9H,1-2,7H2,(H,22,24)
InChIKeyAOXPMTGGPZZIKU-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.87
Rot. Bonds2

About N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 9095334) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID9095334
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C18H13F2N3O2/c19-11-4-6-14(13(20)9-11)22-17(24)10-3-5-12-15(8-10)21-16-2-1-7-23(16)18(12)25/h3-6,8-9H,1-2,7H2,(H,22,24)
InChIKeyAOXPMTGGPZZIKU-UHFFFAOYSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 9095334) is N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is AOXPMTGGPZZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-11-4-6-14(13(20)9-11)22-17(24)10-3-5-12-15(8-10)21-16-2-1-7-23(16)18(12)25/h3-6,8-9H,1-2,7H2,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 9095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).