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

C22H25N5O2S — CID 17424498

IUPAC2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc2ccccc12
InChIInChI=1S/C22H25N5O2S/c23-22-19-6-1-2-7-20(19)24-21(25-22)15-26-10-12-27(13-11-26)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2,(H2,23,24,25)
InChIKeyBLQZRCFQJGFQMK-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.21
Rot. Bonds4

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

2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 17424498) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID17424498
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc2ccccc12
InChIInChI=1S/C22H25N5O2S/c23-22-19-6-1-2-7-20(19)24-21(25-22)15-26-10-12-27(13-11-26)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2,(H2,23,24,25)
InChIKeyBLQZRCFQJGFQMK-UHFFFAOYSA-N
XLogP2.21
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 157156658
2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 43039484
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 29352357
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
3-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31583091
1-[(2-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073947
2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333574
6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol
CID 39911961
3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27639550
(2S)-3-methyl-2-[[2-[[4-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]piperazin-1-yl]methyl]quinazolin-4-yl]amino]butanamide
CID 58809477
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-[(3-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073961

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine (CID 17424498) is 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is BLQZRCFQJGFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c23-22-19-6-1-2-7-20(19)24-21(25-22)15-26-10-12-27(13-11-26)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2,(H2,23,24,25).
What are the key properties of 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 423.54 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 17424498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).