2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one

C19H20FN3O3 — CID 135952256

IUPAC2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c1-23(10-14(24)12-26-15-8-6-13(20)7-9-15)11-18-21-17-5-3-2-4-16(17)19(25)22-18/h2-9,14,24H,10-12H2,1H3,(H,21,22,25)/t14-/m0/s1
InChIKeyAHVJEDIVWRHCEU-AWEZNQCLSA-N
MW357.39 g/mol
LogP1.93
Rot. Bonds7

About 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one

2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one (PubChem CID 135952256) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one
PubChem CID135952256
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3/c1-23(10-14(24)12-26-15-8-6-13(20)7-9-15)11-18-21-17-5-3-2-4-16(17)19(25)22-18/h2-9,14,24H,10-12H2,1H3,(H,21,22,25)/t14-/m0/s1
InChIKeyAHVJEDIVWRHCEU-AWEZNQCLSA-N
XLogP1.93
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135939340
2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 162424449
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154924279
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
2-[[(4-ethylphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135512157
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
6-chloro-2-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135570353
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135890821
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one (CID 135952256) is 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one is CN(Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COc1ccc(F)cc1.
What is the InChIKey of 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one?
The InChIKey is AHVJEDIVWRHCEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-23(10-14(24)12-26-15-8-6-13(20)7-9-15)11-18-21-17-5-3-2-4-16(17)19(25)22-18/h2-9,14,24H,10-12H2,1H3,(H,21,22,25)/t14-/m0/s1.
What are the key properties of 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one?
2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one has a molecular weight of 357.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135952256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).