2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine

C22H27N7O3S — CID 43039484

IUPAC2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)nc2ccccc12
InChIInChI=1S/C22H27N7O3S/c23-22-18-3-1-2-4-19(18)25-20(26-22)16-27-7-9-28(10-8-27)21-6-5-17(15-24-21)33(30,31)29-11-13-32-14-12-29/h1-6,15H,7-14,16H2,(H2,23,25,26)
InChIKeyJAHBWQDCRFMYKQ-UHFFFAOYSA-N
MW469.57 g/mol
LogP0.95
Rot. Bonds5

About 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine

2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 43039484) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID43039484
Molecular FormulaC22H27N7O3S
Molecular Weight469.57 g/mol
Exact Mass469.19
IUPAC Name2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)nc2ccccc12
InChIInChI=1S/C22H27N7O3S/c23-22-18-3-1-2-4-19(18)25-20(26-22)16-27-7-9-28(10-8-27)21-6-5-17(15-24-21)33(30,31)29-11-13-32-14-12-29/h1-6,15H,7-14,16H2,(H2,23,25,26)
InChIKeyJAHBWQDCRFMYKQ-UHFFFAOYSA-N
XLogP0.95
TPSA117.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 17424498
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496
2-[[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333574
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039470
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 22109144
(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 55454232
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 55453230
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine (CID 43039484) is 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine is Nc1nc(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is JAHBWQDCRFMYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c23-22-18-3-1-2-4-19(18)25-20(26-22)16-27-7-9-28(10-8-27)21-6-5-17(15-24-21)33(30,31)29-11-13-32-14-12-29/h1-6,15H,7-14,16H2,(H2,23,25,26).
What are the key properties of 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 469.57 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 43039484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).