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

C23H24N4O3 — CID 25162195

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C23H24N4O3/c1-14-6-4-7-15(2)21(14)25-20(28)13-26(3)22(29)16-9-10-17-18(12-16)24-19-8-5-11-27(19)23(17)30/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,25,28)
InChIKeyCVYPOZIOZLHVJB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.67
Rot. Bonds4

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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 25162195) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID25162195
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3
InChIInChI=1S/C23H24N4O3/c1-14-6-4-7-15(2)21(14)25-20(28)13-26(3)22(29)16-9-10-17-18(12-16)24-19-8-5-11-27(19)23(17)30/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,25,28)
InChIKeyCVYPOZIOZLHVJB-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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 25162195) is N-[2-(2,6-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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is CVYPOZIOZLHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-6-4-7-15(2)21(14)25-20(28)13-26(3)22(29)16-9-10-17-18(12-16)24-19-8-5-11-27(19)23(17)30/h4,6-7,9-10,12H,5,8,11,13H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-[2-(2,6-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-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 25162195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).