3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one

C18H24N4O2 — CID 133377450

IUPAC3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(Nc2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C18H24N4O2/c1-13-3-4-16-15(11-13)18(20-12-19-16)21-14-5-8-22(9-6-14)17(23)7-10-24-2/h3-4,11-12,14H,5-10H2,1-2H3,(H,19,20,21)
InChIKeyYVKZCUWTAHUBFQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.38
Rot. Bonds5

About 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 133377450) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID133377450
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(Nc2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C18H24N4O2/c1-13-3-4-16-15(11-13)18(20-12-19-16)21-14-5-8-22(9-6-14)17(23)7-10-24-2/h3-4,11-12,14H,5-10H2,1-2H3,(H,19,20,21)
InChIKeyYVKZCUWTAHUBFQ-UHFFFAOYSA-N
XLogP2.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
CID 133406522
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274785
N-(1-benzylsulfonylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 133306585
3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one
CID 133377499
3-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]-3-oxopropanoic acid
CID 118916159
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
methyl 2,2-dimethyl-3-[(6-methylquinazolin-4-yl)amino]propanoate
CID 133429933
1-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 118916114
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
3-methoxy-1-[4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377520

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one (CID 133377450) is 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(Nc2ncnc3ccc(C)cc23)CC1.
What is the InChIKey of 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is YVKZCUWTAHUBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-3-4-16-15(11-13)18(20-12-19-16)21-14-5-8-22(9-6-14)17(23)7-10-24-2/h3-4,11-12,14H,5-10H2,1-2H3,(H,19,20,21).
What are the key properties of 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 133377450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).