7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one

C20H26N4O2 — CID 95798378

IUPAC7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)C1
InChIInChI=1S/C20H26N4O2/c1-14-10-15(2)12-22(11-14)18(25)13-24-17-7-4-3-6-16(17)19-21-8-5-9-23(19)20(24)26/h3-4,6-7,14-15H,5,8-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyMIWFWYUQICFDQS-GJZGRUSLSA-N
MW354.45 g/mol
LogP2.58
Rot. Bonds2

About 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one

7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one (PubChem CID 95798378) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
PubChem CID95798378
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)C1
InChIInChI=1S/C20H26N4O2/c1-14-10-15(2)12-22(11-14)18(25)13-24-17-7-4-3-6-16(17)19-21-8-5-9-23(19)20(24)26/h3-4,6-7,14-15H,5,8-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyMIWFWYUQICFDQS-GJZGRUSLSA-N
XLogP2.58
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
CID 110214353
9-chloro-7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one
CID 110214357
4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
CID 95808452
N-cyclopropyl-2-(5-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-6-yl)acetamide
CID 16675590
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 60519605
8-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-10-(4-methoxyphenyl)-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,11-trien-7-one
CID 95808184
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,2-diethylpyrido[3,2-e][1,2,4]triazin-3-one
CID 46952617
1-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-4,4-dimethyl-3H-quinolin-2-one
CID 97458315
2-[2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9246953
2-[5-(2-chlorophenyl)-8-oxo-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl]-N-propan-2-ylacetamide
CID 92580126
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2386855

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
The IUPAC name of 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one (CID 95798378) is 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one.
What is the SMILES notation for 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
The canonical SMILES for 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one is C[C@H]1C[C@H](C)CN(C(=O)CN2C(=O)N3CCCN=C3c3ccccc32)C1.
What is the InChIKey of 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
The InChIKey is MIWFWYUQICFDQS-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-10-15(2)12-22(11-14)18(25)13-24-17-7-4-3-6-16(17)19-21-8-5-9-23(19)20(24)26/h3-4,6-7,14-15H,5,8-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one?
7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one has a molecular weight of 354.45 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-6-one is sourced from PubChem (CID 95798378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).