[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C23H20F2N3O2+ — CID 135729617

IUPAC[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESO=c1[nH]c(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2ccccc12
InChIInChI=1S/C23H19F2N3O2/c24-23(25)30-17-12-10-16(11-13-17)21(15-6-2-1-3-7-15)26-14-20-27-19-9-5-4-8-18(19)22(29)28-20/h1-13,21,23,26H,14H2,(H,27,28,29)/p+1/t21-/m1/s1
InChIKeyDGPWVWADNLKIDZ-OAQYLSRUSA-O
MW408.43 g/mol
LogP3.38
Rot. Bonds7

About [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135729617) has the molecular formula C23H20F2N3O2+ and a molecular weight of 408.43 g/mol. Its IUPAC name is [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135729617
Molecular FormulaC23H20F2N3O2+
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESO=c1[nH]c(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2ccccc12
InChIInChI=1S/C23H19F2N3O2/c24-23(25)30-17-12-10-16(11-13-17)21(15-6-2-1-3-7-15)26-14-20-27-19-9-5-4-8-18(19)22(29)28-20/h1-13,21,23,26H,14H2,(H,27,28,29)/p+1/t21-/m1/s1
InChIKeyDGPWVWADNLKIDZ-OAQYLSRUSA-O
XLogP3.38
TPSA71.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium with MolForge

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Related Compounds

[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729615
2-[[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135729616
(4-oxo-3H-quinazolin-2-yl)methyl-[(1S)-1-phenylethyl]azanium
CID 135612861
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135722510
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137306027
2-[[5-(difluoromethoxy)-2-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 137262894
[(1S)-1-naphthalen-1-ylethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809567
6-(difluoromethoxy)-2-ethyl-3H-quinazolin-4-one
CID 143751543
[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751338
2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135808810
[(R)-(4-methoxyphenyl)-phenylmethyl]-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]azanium
CID 135677079
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295

Frequently Asked Questions

What is the IUPAC name of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135729617) is [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is O=c1[nH]c(C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2ccccc12.
What is the InChIKey of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is DGPWVWADNLKIDZ-OAQYLSRUSA-O. The full InChI is InChI=1S/C23H19F2N3O2/c24-23(25)30-17-12-10-16(11-13-17)21(15-6-2-1-3-7-15)26-14-20-27-19-9-5-4-8-18(19)22(29)28-20/h1-13,21,23,26H,14H2,(H,27,28,29)/p+1/t21-/m1/s1.
What are the key properties of [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 408.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135729617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).