N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide

C21H28N4O3 — CID 45241281

IUPACN-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C21H28N4O3/c1-13-6-9-28-18(13)19(27)23-16-10-21(2,3)11-17-15(16)12-22-20(24-17)25-7-4-14(26)5-8-25/h6,9,12,14,16,26H,4-5,7-8,10-11H2,1-3H3,(H,23,27)
InChIKeyYYKUKTPYXMBXTJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.78
Rot. Bonds3

About N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide (PubChem CID 45241281) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide
PubChem CID45241281
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C21H28N4O3/c1-13-6-9-28-18(13)19(27)23-16-10-21(2,3)11-17-15(16)12-22-20(24-17)25-7-4-14(26)5-8-25/h6,9,12,14,16,26H,4-5,7-8,10-11H2,1-3H3,(H,23,27)
InChIKeyYYKUKTPYXMBXTJ-UHFFFAOYSA-N
XLogP2.78
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide (CID 45241281) is N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide?
The InChIKey is YYKUKTPYXMBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-13-6-9-28-18(13)19(27)23-16-10-21(2,3)11-17-15(16)12-22-20(24-17)25-7-4-14(26)5-8-25/h6,9,12,14,16,26H,4-5,7-8,10-11H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide?
N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 45241281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).