7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one

C16H15ClN4O — CID 169095221

IUPAC7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one
SMILESCN1CCN(c2ncc3c(n2)C(=O)c2cc(Cl)ccc2-3)CC1
InChIInChI=1S/C16H15ClN4O/c1-20-4-6-21(7-5-20)16-18-9-13-11-3-2-10(17)8-12(11)15(22)14(13)19-16/h2-3,8-9H,4-7H2,1H3
InChIKeyQJGQJFFQFUXZLC-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.09
Rot. Bonds1

About 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one

7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one (PubChem CID 169095221) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one.

Molecular Properties

Compound Name7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one
PubChem CID169095221
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one
SMILESCN1CCN(c2ncc3c(n2)C(=O)c2cc(Cl)ccc2-3)CC1
InChIInChI=1S/C16H15ClN4O/c1-20-4-6-21(7-5-20)16-18-9-13-11-3-2-10(17)8-12(11)15(22)14(13)19-16/h2-3,8-9H,4-7H2,1H3
InChIKeyQJGQJFFQFUXZLC-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 42570579
9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
CID 118223476
2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 4873914
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
5-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxylic acid
CID 23512593
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
CID 23000436
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888143
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
3-[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]propanal
CID 58475577
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one?
The IUPAC name of 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one (CID 169095221) is 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one.
What is the SMILES notation for 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one?
The canonical SMILES for 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one is CN1CCN(c2ncc3c(n2)C(=O)c2cc(Cl)ccc2-3)CC1.
What is the InChIKey of 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one?
The InChIKey is QJGQJFFQFUXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-20-4-6-21(7-5-20)16-18-9-13-11-3-2-10(17)8-12(11)15(22)14(13)19-16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one?
7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one has a molecular weight of 314.78 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methylpiperazin-1-yl)indeno[2,1-d]pyrimidin-9-one is sourced from PubChem (CID 169095221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).