2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one

C16H22N4O — CID 136706838

IUPAC2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESCCN(C)C[C@H]1CCN(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-3-19(2)10-12-8-9-20(11-12)16-17-14-7-5-4-6-13(14)15(21)18-16/h4-7,12H,3,8-11H2,1-2H3,(H,17,18,21)/t12-/m1/s1
InChIKeyPYPWNTAGPJYAQE-GFCCVEGCSA-N
MW286.38 g/mol
LogP1.70
Rot. Bonds4

About 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one

2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one (PubChem CID 136706838) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
PubChem CID136706838
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
SMILESCCN(C)C[C@H]1CCN(c2nc3ccccc3c(=O)[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-3-19(2)10-12-8-9-20(11-12)16-17-14-7-5-4-6-13(14)15(21)18-16/h4-7,12H,3,8-11H2,1-2H3,(H,17,18,21)/t12-/m1/s1
InChIKeyPYPWNTAGPJYAQE-GFCCVEGCSA-N
XLogP1.70
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137269952
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
2-[4-[4-[3-(methoxymethyl)pyrrolidin-1-yl]benzoyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138554206
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 137265056
N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 95781713

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one (CID 136706838) is 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one is CCN(C)C[C@H]1CCN(c2nc3ccccc3c(=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
The InChIKey is PYPWNTAGPJYAQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-19(2)10-12-8-9-20(11-12)16-17-14-7-5-4-6-13(14)15(21)18-16/h4-7,12H,3,8-11H2,1-2H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one?
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136706838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).