(2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide

C23H26N4O2 — CID 110212495

IUPAC(2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
SMILESCC(NC(=O)C1CC2CCC1C[C@@]21NC(=O)c2ccccc2N1)c1ccccn1
InChIInChI=1S/C23H26N4O2/c1-14(19-7-4-5-11-24-19)25-21(28)18-12-16-10-9-15(18)13-23(16)26-20-8-3-2-6-17(20)22(29)27-23/h2-8,11,14-16,18,26H,9-10,12-13H2,1H3,(H,25,28)(H,27,29)/t14?,15?,16?,18?,23-/m1/s1
InChIKeyNSAWOYBAYOFSOK-QZNADLKXSA-N
MW390.49 g/mol
LogP3.25
Rot. Bonds3

About (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide

(2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide (PubChem CID 110212495) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide.

Molecular Properties

Compound Name(2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
PubChem CID110212495
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide
SMILESCC(NC(=O)C1CC2CCC1C[C@@]21NC(=O)c2ccccc2N1)c1ccccn1
InChIInChI=1S/C23H26N4O2/c1-14(19-7-4-5-11-24-19)25-21(28)18-12-16-10-9-15(18)13-23(16)26-20-8-3-2-6-17(20)22(29)27-23/h2-8,11,14-16,18,26H,9-10,12-13H2,1H3,(H,25,28)(H,27,29)/t14?,15?,16?,18?,23-/m1/s1
InChIKeyNSAWOYBAYOFSOK-QZNADLKXSA-N
XLogP3.25
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
The IUPAC name of (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide (CID 110212495) is (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide.
What is the SMILES notation for (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
The canonical SMILES for (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide is CC(NC(=O)C1CC2CCC1C[C@@]21NC(=O)c2ccccc2N1)c1ccccn1.
What is the InChIKey of (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
The InChIKey is NSAWOYBAYOFSOK-QZNADLKXSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14(19-7-4-5-11-24-19)25-21(28)18-12-16-10-9-15(18)13-23(16)26-20-8-3-2-6-17(20)22(29)27-23/h2-8,11,14-16,18,26H,9-10,12-13H2,1H3,(H,25,28)(H,27,29)/t14?,15?,16?,18?,23-/m1/s1.
What are the key properties of (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide?
(2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-oxo-N-(1-pyridin-2-ylethyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-2'-carboxamide is sourced from PubChem (CID 110212495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).