2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide

C14H14N4O2 — CID 136933542

IUPAC2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2ccc3[nH]ccc3c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-7(2)12(19)17-14-16-10-4-3-9-8(5-6-15-9)11(10)13(20)18-14/h3-7,15H,1-2H3,(H2,16,17,18,19,20)
InChIKeyCVQRLAYTUSRELQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide

2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide (PubChem CID 136933542) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide
PubChem CID136933542
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2ccc3[nH]ccc3c2c(=O)[nH]1
InChIInChI=1S/C14H14N4O2/c1-7(2)12(19)17-14-16-10-4-3-9-8(5-6-15-9)11(10)13(20)18-14/h3-7,15H,1-2H3,(H2,16,17,18,19,20)
InChIKeyCVQRLAYTUSRELQ-UHFFFAOYSA-N
XLogP2.00
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide (CID 136933542) is 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide is CC(C)C(=O)Nc1nc2ccc3[nH]ccc3c2c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide?
The InChIKey is CVQRLAYTUSRELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7(2)12(19)17-14-16-10-4-3-9-8(5-6-15-9)11(10)13(20)18-14/h3-7,15H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide?
2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide has a molecular weight of 270.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)propanamide is sourced from PubChem (CID 136933542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).