2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one

C25H23N3O2 — CID 127026506

IUPAC2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
SMILESNc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1
InChIKeyZFQQCJCOZGMLDR-REWPJTCUSA-N
MW397.48 g/mol
LogP4.57
Rot. Bonds4

About 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one

2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one (PubChem CID 127026506) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
PubChem CID127026506
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
SMILESNc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1
InChIKeyZFQQCJCOZGMLDR-REWPJTCUSA-N
XLogP4.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-7-Phenyl-3-{[(2r,5s)-5-Phenyltetrahydrofuran-2-Yl]methyl}quinazolin-4(3h)-One
CID 105539825
2-amino-7-phenyl-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 85470144
2-amino-7-(4-butylphenyl)-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127027434
2-amino-7-(4-pentylphenyl)-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127027435
2-amino-7-(3-butylphenyl)-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127027436
methyl 3-[4-[2-amino-4-oxo-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-7-yl]phenyl]propanoate
CID 127027761
2-amino-7-(4-cyclohexylphenyl)-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127027762
2-amino-7-[4-(2-cyclopropylethyl)phenyl]-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127028385
2-amino-7-[4-(3-methylbutyl)phenyl]-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127028386
2-amino-7-[4-(2-phenylethyl)phenyl]-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127028711
2-amino-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]-7-[4-(3-phenylpropyl)phenyl]quinazolin-4-one
CID 127028712
2-amino-7-[4-(4-phenylbutyl)phenyl]-3-[[(2S,5R)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one
CID 127039677

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one?
The IUPAC name of 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one (CID 127026506) is 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one?
The canonical SMILES for 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one is Nc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1CC[C@@H](c2ccccc2)O1.
What is the InChIKey of 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one?
The InChIKey is ZFQQCJCOZGMLDR-REWPJTCUSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-25-27-22-15-19(17-7-3-1-4-8-17)11-13-21(22)24(29)28(25)16-20-12-14-23(30-20)18-9-5-2-6-10-18/h1-11,13,15,20,23H,12,14,16H2,(H2,26,27)/t20-,23-/m0/s1.
What are the key properties of 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one?
2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one has a molecular weight of 397.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-phenyl-3-[[(2S,5S)-5-phenyloxolan-2-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 127026506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).