(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one

C20H20N4O2 — CID 51590525

IUPAC(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one
SMILESO=C1NC2(C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccn2)Nc2ccccc21
InChIInChI=1S/C20H20N4O2/c25-18-15-5-1-2-6-16(15)22-20(23-18)11-13-8-9-14(12-20)24(13)19(26)17-7-3-4-10-21-17/h1-7,10,13-14,22H,8-9,11-12H2,(H,23,25)/t13-,14+,20?
InChIKeyVIDITUKVPAMHLY-RAKKMVLPSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds1

About (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one

(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one (PubChem CID 51590525) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one.

Molecular Properties

Compound Name(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one
PubChem CID51590525
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one
SMILESO=C1NC2(C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccn2)Nc2ccccc21
InChIInChI=1S/C20H20N4O2/c25-18-15-5-1-2-6-16(15)22-20(23-18)11-13-8-9-14(12-20)24(13)19(26)17-7-3-4-10-21-17/h1-7,10,13-14,22H,8-9,11-12H2,(H,23,25)/t13-,14+,20?
InChIKeyVIDITUKVPAMHLY-RAKKMVLPSA-N
XLogP2.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one?
The IUPAC name of (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one (CID 51590525) is (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one.
What is the SMILES notation for (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one?
The canonical SMILES for (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one is O=C1NC2(C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccn2)Nc2ccccc21.
What is the InChIKey of (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one?
The InChIKey is VIDITUKVPAMHLY-RAKKMVLPSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-15-5-1-2-6-16(15)22-20(23-18)11-13-8-9-14(12-20)24(13)19(26)17-7-3-4-10-21-17/h1-7,10,13-14,22H,8-9,11-12H2,(H,23,25)/t13-,14+,20?.
What are the key properties of (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one?
(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one is sourced from PubChem (CID 51590525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).