3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one

C19H15FN4O3 — CID 66680094

IUPAC3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1F.O=c1cc[nH]c(=O)n1Nc1ccccc1
InChIInChI=1S/C10H9N3O2.C9H6FNO/c14-9-6-7-11-10(15)13(9)12-8-4-2-1-3-5-8;10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-7,12H,(H,11,15);1-5H,(H,11,12)
InChIKeyQRMIGUROQHUNRM-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.08
Rot. Bonds2

About 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one

3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one (PubChem CID 66680094) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one
PubChem CID66680094
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1F.O=c1cc[nH]c(=O)n1Nc1ccccc1
InChIInChI=1S/C10H9N3O2.C9H6FNO/c14-9-6-7-11-10(15)13(9)12-8-4-2-1-3-5-8;10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-7,12H,(H,11,15);1-5H,(H,11,12)
InChIKeyQRMIGUROQHUNRM-UHFFFAOYSA-N
XLogP2.08
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one (CID 66680094) is 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1F.O=c1cc[nH]c(=O)n1Nc1ccccc1.
What is the InChIKey of 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one?
The InChIKey is QRMIGUROQHUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2.C9H6FNO/c14-9-6-7-11-10(15)13(9)12-8-4-2-1-3-5-8;10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-7,12H,(H,11,15);1-5H,(H,11,12).
What are the key properties of 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one?
3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one has a molecular weight of 366.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1H-pyrimidine-2,4-dione;3-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 66680094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).