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

C20H19N3O2 — CID 2451099

IUPACN-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1
InChIInChI=1S/C20H19N3O2/c1-12-5-6-13(2)16(10-12)22-19(24)14-7-8-15-17(11-14)21-18-4-3-9-23(18)20(15)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyNHQTYPHWZMGLNU-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.21
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 2451099) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID2451099
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1
InChIInChI=1S/C20H19N3O2/c1-12-5-6-13(2)16(10-12)22-19(24)14-7-8-15-17(11-14)21-18-4-3-9-23(18)20(15)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyNHQTYPHWZMGLNU-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 2451099) is N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is NHQTYPHWZMGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-5-6-13(2)16(10-12)22-19(24)14-7-8-15-17(11-14)21-18-4-3-9-23(18)20(15)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 2451099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).