N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C40H63BrN10O6S2 — CID 162077648

IUPACN-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESC.C.C1COCCN1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(Br)cc23)C1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1
InChIInChI=1S/C19H27N5O3S.C15H19BrN4O2S.C4H9NO.2CH4/c1-28(25,26)22-12-15-3-2-6-24(13-15)19-17-11-16(23-7-9-27-10-8-23)4-5-18(17)20-14-21-19;1-23(21,22)19-8-11-3-2-6-20(9-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-3-6-4-2-5-1;;/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3;4-5,7,10-11,19H,2-3,6,8-9H2,1H3;5H,1-4H2;2*1H4
InChIKeyZBXLOZIJFCIDMM-UHFFFAOYSA-N
MW924.05 g/mol
LogP4.27
Rot. Bonds9

About N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 162077648) has the molecular formula C40H63BrN10O6S2 and a molecular weight of 924.05 g/mol. Its IUPAC name is N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID162077648
Molecular FormulaC40H63BrN10O6S2
Molecular Weight924.05 g/mol
Exact Mass922.36
IUPAC NameN-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESC.C.C1COCCN1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(Br)cc23)C1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1
InChIInChI=1S/C19H27N5O3S.C15H19BrN4O2S.C4H9NO.2CH4/c1-28(25,26)22-12-15-3-2-6-24(13-15)19-17-11-16(23-7-9-27-10-8-23)4-5-18(17)20-14-21-19;1-23(21,22)19-8-11-3-2-6-20(9-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-3-6-4-2-5-1;;/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3;4-5,7,10-11,19H,2-3,6,8-9H2,1H3;5H,1-4H2;2*1H4
InChIKeyZBXLOZIJFCIDMM-UHFFFAOYSA-N
XLogP4.27
TPSA184.11 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.05
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

6-bromo-N-(4-morpholinophenyl)quinazolin-4-amine
CID 1189450
Bis-quinazolinotriazene, 5b
CID 24816403
6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118469884
1-(6-Bromoquinazolin-4-yl)-2-(6-iodoquinazolin-4-yl)-1,2-bis(4-morpholin-4-ylphenyl)hydrazine
CID 91098373
N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 142582696
6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane
CID 144951228
N-[1-(6-bromo-7-fluoroquinazolin-4-yl)piperidin-3-yl]methanesulfonamide;7-fluoro-6-isocyano-4-[3-(methylsulfonylmethyl)piperidin-1-yl]quinazoline
CID 157052845
N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;morpholine;N-[[1-(2-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 157356646
N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;N-[3-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanesulfonamide;[3-(methanesulfonamido)phenyl]boronic acid
CID 157592670
N-[[1-(7-bromo-6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-fluoro-7-methylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane
CID 158336626
2-bromopropane;N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(2-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-N-propan-2-ylmethanesulfonamide;methane;N-propan-2-yl-N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]methanesulfonamide
CID 158414207
[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methanamine;N-[[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]methyl]morpholine-4-sulfonamide;morpholine-4-sulfonyl chloride
CID 158600583

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 162077648) is N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is C.C.C1COCCN1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(Br)cc23)C1.CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1.
What is the InChIKey of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ZBXLOZIJFCIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S.C15H19BrN4O2S.C4H9NO.2CH4/c1-28(25,26)22-12-15-3-2-6-24(13-15)19-17-11-16(23-7-9-27-10-8-23)4-5-18(17)20-14-21-19;1-23(21,22)19-8-11-3-2-6-20(9-11)15-13-7-12(16)4-5-14(13)17-10-18-15;1-3-6-4-2-5-1;;/h4-5,11,14-15,22H,2-3,6-10,12-13H2,1H3;4-5,7,10-11,19H,2-3,6,8-9H2,1H3;5H,1-4H2;2*1H4.
What are the key properties of N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 924.05 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-bromoquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide;methane;morpholine;N-[[1-(6-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162077648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).