2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one

C18H21N5O2 — CID 137272351

IUPAC2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one
SMILESCN(C)CCOc1cc(CNc2nc3ccccc3c(=O)[nH]2)ccn1
InChIInChI=1S/C18H21N5O2/c1-23(2)9-10-25-16-11-13(7-8-19-16)12-20-18-21-15-6-4-3-5-14(15)17(24)22-18/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyPUXCAKMHJJXIME-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.87
Rot. Bonds7

About 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one

2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one (PubChem CID 137272351) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one
PubChem CID137272351
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one
SMILESCN(C)CCOc1cc(CNc2nc3ccccc3c(=O)[nH]2)ccn1
InChIInChI=1S/C18H21N5O2/c1-23(2)9-10-25-16-11-13(7-8-19-16)12-20-18-21-15-6-4-3-5-14(15)17(24)22-18/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyPUXCAKMHJJXIME-UHFFFAOYSA-N
XLogP1.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133431338
2-[[4-(dimethylamino)phenyl]methylamino]-3H-quinazolin-4-one
CID 137264078
5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
CID 133431333
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-3H-quinazolin-4-one
CID 137264237
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133431334
6-nitro-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 136539746
2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167947731
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133431380
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
6-[(2-butan-2-yloxy-4-pyridinyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136537393

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one (CID 137272351) is 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one is CN(C)CCOc1cc(CNc2nc3ccccc3c(=O)[nH]2)ccn1.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one?
The InChIKey is PUXCAKMHJJXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-23(2)9-10-25-16-11-13(7-8-19-16)12-20-18-21-15-6-4-3-5-14(15)17(24)22-18/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one?
2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one has a molecular weight of 339.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 137272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).