2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one

C15H10N4O3 — CID 137239083

IUPAC2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2[N+](=O)[O-])nc2cnccc12
InChIInChI=1S/C15H10N4O3/c20-15-11-7-8-16-9-12(11)17-14(18-15)6-5-10-3-1-2-4-13(10)19(21)22/h1-9H,(H,17,18,20)/b6-5+
InChIKeyUDJCMLDJLOZUQK-AATRIKPKSA-N
MW294.27 g/mol
LogP2.40
Rot. Bonds3

About 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one

2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137239083) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137239083
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2[N+](=O)[O-])nc2cnccc12
InChIInChI=1S/C15H10N4O3/c20-15-11-7-8-16-9-12(11)17-14(18-15)6-5-10-3-1-2-4-13(10)19(21)22/h1-9H,(H,17,18,20)/b6-5+
InChIKeyUDJCMLDJLOZUQK-AATRIKPKSA-N
XLogP2.40
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135446762
2-(2-naphthalen-1-ylethenyl)-3H-quinazolin-4-one
CID 135471735
2-[2-(2-aminophenyl)ethenyl]-3H-quinazolin-4-one
CID 137193134
2-[3-[(E)-2-(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)ethenyl]phenoxy]propanoic acid
CID 167992342
2-[(E)-2-[4-(dimethylamino)-3-nitrophenyl]ethenyl]-3H-quinazolin-4-one
CID 135847219
2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-benzo[g]quinazolin-4-one
CID 135470796
6-nitro-2-[(E)-2-(4-nitrophenyl)ethenyl]-3H-quinazolin-4-one
CID 135441720
3-[4-[(E)-2-(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)ethenyl]phenoxy]propanoic acid
CID 166229932
3-(2-nitrophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135408202
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole
CID 175956037
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137239083) is 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(/C=C/c2ccccc2[N+](=O)[O-])nc2cnccc12.
What is the InChIKey of 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UDJCMLDJLOZUQK-AATRIKPKSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15-11-7-8-16-9-12(11)17-14(18-15)6-5-10-3-1-2-4-13(10)19(21)22/h1-9H,(H,17,18,20)/b6-5+.
What are the key properties of 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 294.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-nitrophenyl)ethenyl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137239083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).