N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide

C14H9ClN4O2 — CID 14639284

IUPACN-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide
SMILESO=C(Nc1cnc2ccc(Cl)nn2c1=O)c1ccccc1
InChIInChI=1S/C14H9ClN4O2/c15-11-6-7-12-16-8-10(14(21)19(12)18-11)17-13(20)9-4-2-1-3-5-9/h1-8H,(H,17,20)
InChIKeyQOFDLWGNHMUFFF-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.00
Rot. Bonds2

About N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide

N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide (PubChem CID 14639284) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide
PubChem CID14639284
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC NameN-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide
SMILESO=C(Nc1cnc2ccc(Cl)nn2c1=O)c1ccccc1
InChIInChI=1S/C14H9ClN4O2/c15-11-6-7-12-16-8-10(14(21)19(12)18-11)17-13(20)9-4-2-1-3-5-9/h1-8H,(H,17,20)
InChIKeyQOFDLWGNHMUFFF-UHFFFAOYSA-N
XLogP2.00
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-oxoethyl]benzamide
CID 10805246
N-[2-(4-methylphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 22587648
2-[5-benzamido-2-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10199998
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
N-(2-benzoyl-6-chloro-3-pyridinyl)benzamide
CID 21448723
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
2-[5-benzamido-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10159611
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251
N-[2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
CID 1489145

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide?
The IUPAC name of N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide (CID 14639284) is N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide.
What is the SMILES notation for N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide?
The canonical SMILES for N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide is O=C(Nc1cnc2ccc(Cl)nn2c1=O)c1ccccc1.
What is the InChIKey of N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide?
The InChIKey is QOFDLWGNHMUFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-11-6-7-12-16-8-10(14(21)19(12)18-11)17-13(20)9-4-2-1-3-5-9/h1-8H,(H,17,20).
What are the key properties of N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide?
N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide has a molecular weight of 300.71 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-oxopyrimido[1,2-b]pyridazin-3-yl)benzamide is sourced from PubChem (CID 14639284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).