4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline

C22H24N4O2S — CID 133455730

IUPAC4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
SMILESCc1cccc2ncnc(N3CCCC(S(=O)(=O)N4CCc5ccccc54)C3)c12
InChIInChI=1S/C22H24N4O2S/c1-16-6-4-9-19-21(16)22(24-15-23-19)25-12-5-8-18(14-25)29(27,28)26-13-11-17-7-2-3-10-20(17)26/h2-4,6-7,9-10,15,18H,5,8,11-14H2,1H3
InChIKeyJYUZCUMFOWVCPN-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.30
Rot. Bonds3

About 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline

4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline (PubChem CID 133455730) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline.

Molecular Properties

Compound Name4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
PubChem CID133455730
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
SMILESCc1cccc2ncnc(N3CCCC(S(=O)(=O)N4CCc5ccccc54)C3)c12
InChIInChI=1S/C22H24N4O2S/c1-16-6-4-9-19-21(16)22(24-15-23-19)25-12-5-8-18(14-25)29(27,28)26-13-11-17-7-2-3-10-20(17)26/h2-4,6-7,9-10,15,18H,5,8,11-14H2,1H3
InChIKeyJYUZCUMFOWVCPN-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
CID 133455687
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 97343688
(3R)-N-(cyclopropylmethyl)-1-(5-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 96566820
7-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75474277
4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
CID 133345278
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 126807446
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
CID 133384624
5-(4-methylpiperazin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]pyridazin-3-one
CID 128990617
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline?
The IUPAC name of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline (CID 133455730) is 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline.
What is the SMILES notation for 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline?
The canonical SMILES for 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline is Cc1cccc2ncnc(N3CCCC(S(=O)(=O)N4CCc5ccccc54)C3)c12.
What is the InChIKey of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline?
The InChIKey is JYUZCUMFOWVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-6-4-9-19-21(16)22(24-15-23-19)25-12-5-8-18(14-25)29(27,28)26-13-11-17-7-2-3-10-20(17)26/h2-4,6-7,9-10,15,18H,5,8,11-14H2,1H3.
What are the key properties of 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline?
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline has a molecular weight of 408.53 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline is sourced from PubChem (CID 133455730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).