N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C23H24N4O3 — CID 25162405

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1
InChIInChI=1S/C23H24N4O3/c1-14-6-7-15(2)18(11-14)25-21(28)13-26(3)22(29)16-8-9-17-19(12-16)24-20-5-4-10-27(20)23(17)30/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,28)
InChIKeyVQBBLAAFGSVUMP-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 25162405) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID25162405
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1
InChIInChI=1S/C23H24N4O3/c1-14-6-7-15(2)18(11-14)25-21(28)13-26(3)22(29)16-8-9-17-19(12-16)24-20-5-4-10-27(20)23(17)30/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,28)
InChIKeyVQBBLAAFGSVUMP-UHFFFAOYSA-N
XLogP2.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 25162405) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is VQBBLAAFGSVUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-6-7-15(2)18(11-14)25-21(28)13-26(3)22(29)16-8-9-17-19(12-16)24-20-5-4-10-27(20)23(17)30/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 25162405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).