N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide

C18H22N4O2 — CID 53140620

IUPACN-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2ncnc(N3CCCCC3)c2c1)C1CCCO1
InChIInChI=1S/C18H22N4O2/c23-18(16-5-4-10-24-16)21-13-6-7-15-14(11-13)17(20-12-19-15)22-8-2-1-3-9-22/h6-7,11-12,16H,1-5,8-10H2,(H,21,23)
InChIKeyNOWBWBSUTWKPEK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.74
Rot. Bonds3

About N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide

N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide (PubChem CID 53140620) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide
PubChem CID53140620
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2ncnc(N3CCCCC3)c2c1)C1CCCO1
InChIInChI=1S/C18H22N4O2/c23-18(16-5-4-10-24-16)21-13-6-7-15-14(11-13)17(20-12-19-15)22-8-2-1-3-9-22/h6-7,11-12,16H,1-5,8-10H2,(H,21,23)
InChIKeyNOWBWBSUTWKPEK-UHFFFAOYSA-N
XLogP2.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide (CID 53140620) is N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide is O=C(Nc1ccc2ncnc(N3CCCCC3)c2c1)C1CCCO1.
What is the InChIKey of N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide?
The InChIKey is NOWBWBSUTWKPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(16-5-4-10-24-16)21-13-6-7-15-14(11-13)17(20-12-19-15)22-8-2-1-3-9-22/h6-7,11-12,16H,1-5,8-10H2,(H,21,23).
What are the key properties of N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide?
N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylquinazolin-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 53140620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).