4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline

C22H24N4O2S — CID 133345278

IUPAC4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
SMILESCc1cccc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c12
InChIInChI=1S/C22H24N4O2S/c1-16-4-2-7-20-21(16)22(24-15-23-20)25-10-12-26(13-11-25)29(27,28)19-9-8-17-5-3-6-18(17)14-19/h2,4,7-9,14-15H,3,5-6,10-13H2,1H3
InChIKeyRHUGKMQAMBMMKS-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.94
Rot. Bonds3

About 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline

4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline (PubChem CID 133345278) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline.

Molecular Properties

Compound Name4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
PubChem CID133345278
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
SMILESCc1cccc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c12
InChIInChI=1S/C22H24N4O2S/c1-16-4-2-7-20-21(16)22(24-15-23-20)25-10-12-26(13-11-25)29(27,28)19-9-8-17-5-3-6-18(17)14-19/h2,4,7-9,14-15H,3,5-6,10-13H2,1H3
InChIKeyRHUGKMQAMBMMKS-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18190429
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
CID 133345227
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407726
1-methyl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 25315664
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
4-(4,5-dimethylimidazol-1-yl)-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
CID 122345564
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline
CID 17455125
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
1-[(2-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073947
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 133358239

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline?
The IUPAC name of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline (CID 133345278) is 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline.
What is the SMILES notation for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline?
The canonical SMILES for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline is Cc1cccc2ncnc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)c12.
What is the InChIKey of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline?
The InChIKey is RHUGKMQAMBMMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-4-2-7-20-21(16)22(24-15-23-20)25-10-12-26(13-11-25)29(27,28)19-9-8-17-5-3-6-18(17)14-19/h2,4,7-9,14-15H,3,5-6,10-13H2,1H3.
What are the key properties of 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline?
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline has a molecular weight of 408.53 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline is sourced from PubChem (CID 133345278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).