2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one

C19H24N4O4 — CID 165426925

IUPAC2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one
SMILESCCOCC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)[C@H](C)[C@H]1C
InChIInChI=1S/C19H24N4O4/c1-4-27-11-16(24)22-9-10-23(13(3)12(22)2)19(26)17-20-15-8-6-5-7-14(15)18(25)21-17/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,21,25)/t12-,13-/m1/s1
InChIKeyZAADWIGVPTYIBA-CHWSQXEVSA-N
MW372.43 g/mol
LogP1.02
Rot. Bonds4

About 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one

2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one (PubChem CID 165426925) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one
PubChem CID165426925
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one
SMILESCCOCC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)[C@H](C)[C@H]1C
InChIInChI=1S/C19H24N4O4/c1-4-27-11-16(24)22-9-10-23(13(3)12(22)2)19(26)17-20-15-8-6-5-7-14(15)18(25)21-17/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,21,25)/t12-,13-/m1/s1
InChIKeyZAADWIGVPTYIBA-CHWSQXEVSA-N
XLogP1.02
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethyl-2-methylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 167837886
2-(4-acetylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135966308
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3H-quinazolin-4-one
CID 136911292
2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165
2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971
2-[(3S)-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]morpholine-4-carbonyl]-3H-quinazolin-4-one
CID 136738161
2-[4-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136545155
8a-ethyl-7-(4-oxo-3H-quinazoline-2-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146046870
1-[(3R,4S)-4-hydroxy-1-(4-oxo-3H-quinazoline-2-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 137293752
2-[(3R,4R)-3,4-dihydroxy-4-methylpiperidine-1-carbonyl]-3H-quinazolin-4-one
CID 137248565
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 154888668
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135569648

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one (CID 165426925) is 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one is CCOCC(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)[C@H](C)[C@H]1C.
What is the InChIKey of 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one?
The InChIKey is ZAADWIGVPTYIBA-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-27-11-16(24)22-9-10-23(13(3)12(22)2)19(26)17-20-15-8-6-5-7-14(15)18(25)21-17/h5-8,12-13H,4,9-11H2,1-3H3,(H,20,21,25)/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one?
2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one has a molecular weight of 372.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-4-(2-ethoxyacetyl)-2,3-dimethylpiperazine-1-carbonyl]-3H-quinazolin-4-one is sourced from PubChem (CID 165426925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).