2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one

C16H24N4O2 — CID 95266323

IUPAC2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
SMILESCOC[C@H](C)n1c(NCCN(C)C)nc2ccccc2c1=O
InChIInChI=1S/C16H24N4O2/c1-12(11-22-4)20-15(21)13-7-5-6-8-14(13)18-16(20)17-9-10-19(2)3/h5-8,12H,9-11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyVTHVZMRFBJSCIG-LBPRGKRZSA-N
MW304.39 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one

2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one (PubChem CID 95266323) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
PubChem CID95266323
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
SMILESCOC[C@H](C)n1c(NCCN(C)C)nc2ccccc2c1=O
InChIInChI=1S/C16H24N4O2/c1-12(11-22-4)20-15(21)13-7-5-6-8-14(13)18-16(20)17-9-10-19(2)3/h5-8,12H,9-11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyVTHVZMRFBJSCIG-LBPRGKRZSA-N
XLogP1.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
CID 53368642
N-benzyl-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 2521772
N-(2-cyanoethyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2419879
5-[2-(dimethylamino)ethylamino]quinazolino[2,1-b]quinazolin-12-one
CID 134096041
2-[(4-chlorophenyl)methylsulfanyl]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2521731
2-[(2-fluorophenyl)methylsulfanyl]-3-(1-methoxypropan-2-yl)quinazolin-4-one
CID 42964052
3-[[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 5035185
3-benzyl-2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 1052006
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-propylquinazolin-4-one
CID 769702
2-[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-[(2R)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2096661
2-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2096660
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-[(2R)-1-methoxypropan-2-yl]quinazolin-4-one
CID 2371958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one (CID 95266323) is 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one is COC[C@H](C)n1c(NCCN(C)C)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one?
The InChIKey is VTHVZMRFBJSCIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(11-22-4)20-15(21)13-7-5-6-8-14(13)18-16(20)17-9-10-19(2)3/h5-8,12H,9-11H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one?
2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one has a molecular weight of 304.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-3-[(2S)-1-methoxypropan-2-yl]quinazolin-4-one is sourced from PubChem (CID 95266323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).