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

C23H24N4O3 — CID 26661305

IUPAC9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-13-9-14(2)21(15(3)10-13)26-20(28)12-24-22(29)16-6-7-17-18(11-16)25-19-5-4-8-27(19)23(17)30/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyAGGXTYHHIMZVNY-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.64
Rot. Bonds4

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

9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 26661305) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID26661305
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-13-9-14(2)21(15(3)10-13)26-20(28)12-24-22(29)16-6-7-17-18(11-16)25-19-5-4-8-27(19)23(17)30/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyAGGXTYHHIMZVNY-UHFFFAOYSA-N
XLogP2.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 26661305) is 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c(C)c1.
What is the InChIKey of 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is AGGXTYHHIMZVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-13-9-14(2)21(15(3)10-13)26-20(28)12-24-22(29)16-6-7-17-18(11-16)25-19-5-4-8-27(19)23(17)30/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 26661305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).