1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol

C18H26N4O2 — CID 133406522

IUPAC1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCC(Nc2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C18H26N4O2/c1-13-3-4-17-16(9-13)18(20-12-19-17)21-14-5-7-22(8-6-14)10-15(23)11-24-2/h3-4,9,12,14-15,23H,5-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyFYNAXSRPMJSKHH-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.82
Rot. Bonds6

About 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol

1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol (PubChem CID 133406522) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
PubChem CID133406522
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol
SMILESCOCC(O)CN1CCC(Nc2ncnc3ccc(C)cc23)CC1
InChIInChI=1S/C18H26N4O2/c1-13-3-4-17-16(9-13)18(20-12-19-17)21-14-5-7-22(8-6-14)10-15(23)11-24-2/h3-4,9,12,14-15,23H,5-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyFYNAXSRPMJSKHH-UHFFFAOYSA-N
XLogP1.82
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol (CID 133406522) is 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol is COCC(O)CN1CCC(Nc2ncnc3ccc(C)cc23)CC1.
What is the InChIKey of 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
The InChIKey is FYNAXSRPMJSKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-3-4-17-16(9-13)18(20-12-19-17)21-14-5-7-22(8-6-14)10-15(23)11-24-2/h3-4,9,12,14-15,23H,5-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol?
1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol has a molecular weight of 330.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 133406522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).