8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

C15H11N5O — CID 68935708

IUPAC8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESNc1nccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)n1
InChIInChI=1S/C15H11N5O/c16-15-18-6-4-11(20-15)8-1-2-12-10(7-8)9-3-5-17-13(9)14(21)19-12/h1-7,17H,(H,19,21)(H2,16,18,20)
InChIKeyIHABRMWVMANZFJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.05
Rot. Bonds1

About 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one

8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (PubChem CID 68935708) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
PubChem CID68935708
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
SMILESNc1nccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)n1
InChIInChI=1S/C15H11N5O/c16-15-18-6-4-11(20-15)8-1-2-12-10(7-8)9-3-5-17-13(9)14(21)19-12/h1-7,17H,(H,19,21)(H2,16,18,20)
InChIKeyIHABRMWVMANZFJ-UHFFFAOYSA-N
XLogP2.05
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one (CID 68935708) is 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is Nc1nccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)n1.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
The InChIKey is IHABRMWVMANZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-15-18-6-4-11(20-15)8-1-2-12-10(7-8)9-3-5-17-13(9)14(21)19-12/h1-7,17H,(H,19,21)(H2,16,18,20).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one?
8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one has a molecular weight of 277.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-4-yl)-3,5-dihydropyrrolo[2,3-c]quinolin-4-one is sourced from PubChem (CID 68935708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).