3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one

C16H16N4O — CID 62464027

IUPAC3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one
SMILESCCNc1cc(Cn2cnc3ccccc3c2=O)ccn1
InChIInChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)10-20-11-19-14-6-4-3-5-13(14)16(20)21/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyUPWOOOAUECPVGD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.27
Rot. Bonds4

About 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one

3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one (PubChem CID 62464027) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one
PubChem CID62464027
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one
SMILESCCNc1cc(Cn2cnc3ccccc3c2=O)ccn1
InChIInChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)10-20-11-19-14-6-4-3-5-13(14)16(20)21/h3-9,11H,2,10H2,1H3,(H,17,18)
InChIKeyUPWOOOAUECPVGD-UHFFFAOYSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62466356
4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62464370
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
CID 62465252
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62466505
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
3-[(3-bromo-4-methoxyphenyl)methyl]quinazolin-4-one
CID 9138174
3-propylquinazolin-4-one
CID 529124
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one (CID 62464027) is 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one is CCNc1cc(Cn2cnc3ccccc3c2=O)ccn1.
What is the InChIKey of 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one?
The InChIKey is UPWOOOAUECPVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-17-15-9-12(7-8-18-15)10-20-11-19-14-6-4-3-5-13(14)16(20)21/h3-9,11H,2,10H2,1H3,(H,17,18).
What are the key properties of 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one?
3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one has a molecular weight of 280.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethylamino)-4-pyridinyl]methyl]quinazolin-4-one is sourced from PubChem (CID 62464027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).