(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one

C14H18N2O — CID 95167747

IUPAC(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
SMILESC[C@@H]1CCC[C@]2(C1)NC(=O)c1ccccc1N2
InChIInChI=1S/C14H18N2O/c1-10-5-4-8-14(9-10)15-12-7-3-2-6-11(12)13(17)16-14/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyQFNGBFKANBGZQH-QMTHXVAHSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds

About (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one

(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one (PubChem CID 95167747) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
PubChem CID95167747
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
SMILESC[C@@H]1CCC[C@]2(C1)NC(=O)c1ccccc1N2
InChIInChI=1S/C14H18N2O/c1-10-5-4-8-14(9-10)15-12-7-3-2-6-11(12)13(17)16-14/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,16,17)/t10-,14-/m1/s1
InChIKeyQFNGBFKANBGZQH-QMTHXVAHSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 68664926
1'-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110211989
2,2-dimethyl-1,3-dihydroquinazolin-4-one
CID 595161
(2R)-N-cyclobutyl-2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]propanamide
CID 95793739
spiro[1,3-dihydro-4,1,3-benzoxadiazepine-2,1'-cyclopentane]-5-one
CID 5151072
(1'S,5'R)-8'-(pyridine-2-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-8-azabicyclo[3.2.1]octane]-4-one
CID 51590525
(2R)-5'-(3-methylpiperidine-1-carbonyl)spiro[1,3-dihydroquinazoline-2,2'-bicyclo[2.2.2]octane]-4-one
CID 110244872
8'-methoxyspiro[1,3-dihydroquinazoline-2,3'-2,4-dihydro-1H-naphthalene]-4-one
CID 166226224
CID 110211760
CID 110211760
1'-(1-oxo-1-piperidin-1-ylpropan-2-yl)spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione
CID 110212312
1'-methyl-2'-(3-methylpiperidine-1-carbonyl)spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-4-one
CID 110212214
(1'S,2R,2'R,4'R)-1'-methyl-2'-[(3R)-3-methylpiperidine-1-carbonyl]spiro[1,3-dihydroquinazoline-2,5'-bicyclo[2.2.2]octane]-4-one
CID 124909813

Frequently Asked Questions

What is the IUPAC name of (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one (CID 95167747) is (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one is C[C@@H]1CCC[C@]2(C1)NC(=O)c1ccccc1N2.
What is the InChIKey of (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is QFNGBFKANBGZQH-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-4-8-14(9-10)15-12-7-3-2-6-11(12)13(17)16-14/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,16,17)/t10-,14-/m1/s1.
What are the key properties of (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one?
(2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 230.31 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'R)-3'-methylspiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 95167747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).