[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

C36H49ClF2N10O6S2 — CID 158600583

IUPAC[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
SMILESNCC1CCCN(c2ncnc3ccc(F)cc23)C1.O=S(=O)(Cl)N1CCOCC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)N1CCOCC1
InChIInChI=1S/C18H24FN5O3S.C14H17FN4.C4H8ClNO3S/c19-15-3-4-17-16(10-15)18(21-13-20-17)23-5-1-2-14(12-23)11-22-28(25,26)24-6-8-27-9-7-24;15-11-3-4-13-12(6-11)14(18-9-17-13)19-5-1-2-10(7-16)8-19;5-10(7,8)6-1-3-9-4-2-6/h3-4,10,13-14,22H,1-2,5-9,11-12H2;3-4,6,9-10H,1-2,5,7-8,16H2;1-4H2
InChIKeyHVOSVWBIMFDMQA-UHFFFAOYSA-N
MW855.43 g/mol
LogP2.90
Rot. Bonds8

About [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

[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 (PubChem CID 158600583) has the molecular formula C36H49ClF2N10O6S2 and a molecular weight of 855.43 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158600583
Molecular FormulaC36H49ClF2N10O6S2
Molecular Weight855.43 g/mol
Exact Mass854.29
IUPAC Name[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
SMILESNCC1CCCN(c2ncnc3ccc(F)cc23)C1.O=S(=O)(Cl)N1CCOCC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)N1CCOCC1
InChIInChI=1S/C18H24FN5O3S.C14H17FN4.C4H8ClNO3S/c19-15-3-4-17-16(10-15)18(21-13-20-17)23-5-1-2-14(12-23)11-22-28(25,26)24-6-8-27-9-7-24;15-11-3-4-13-12(6-11)14(18-9-17-13)19-5-1-2-10(7-16)8-19;5-10(7,8)6-1-3-9-4-2-6/h3-4,10,13-14,22H,1-2,5-9,11-12H2;3-4,6,9-10H,1-2,5,7-8,16H2;1-4H2
InChIKeyHVOSVWBIMFDMQA-UHFFFAOYSA-N
XLogP2.90
TPSA189.31 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is NCC1CCCN(c2ncnc3ccc(F)cc23)C1.O=S(=O)(Cl)N1CCOCC1.O=S(=O)(NCC1CCCN(c2ncnc3ccc(F)cc23)C1)N1CCOCC1.
What is the InChIKey of [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?
The InChIKey is HVOSVWBIMFDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O3S.C14H17FN4.C4H8ClNO3S/c19-15-3-4-17-16(10-15)18(21-13-20-17)23-5-1-2-14(12-23)11-22-28(25,26)24-6-8-27-9-7-24;15-11-3-4-13-12(6-11)14(18-9-17-13)19-5-1-2-10(7-16)8-19;5-10(7,8)6-1-3-9-4-2-6/h3-4,10,13-14,22H,1-2,5-9,11-12H2;3-4,6,9-10H,1-2,5,7-8,16H2;1-4H2.
What are the key properties of [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?
[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 has a molecular weight of 855.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158600583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).