2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one

C29H25N3O2 — CID 127027429

IUPAC2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one
SMILESNc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1CC[C@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C29H25N3O2/c30-29-31-26-17-22(19-6-2-1-3-7-19)12-14-25(26)28(33)32(29)18-24-13-15-27(34-24)23-11-10-20-8-4-5-9-21(20)16-23/h1-12,14,16-17,24,27H,13,15,18H2,(H2,30,31)/t24-,27+/m0/s1
InChIKeyGXRSTJMUWBFVLD-RPLLCQBOSA-N
MW447.54 g/mol
LogP5.72
Rot. Bonds4

About 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one

2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one (PubChem CID 127027429) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one
PubChem CID127027429
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one
SMILESNc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1CC[C@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C29H25N3O2/c30-29-31-26-17-22(19-6-2-1-3-7-19)12-14-25(26)28(33)32(29)18-24-13-15-27(34-24)23-11-10-20-8-4-5-9-21(20)16-23/h1-12,14,16-17,24,27H,13,15,18H2,(H2,30,31)/t24-,27+/m0/s1
InChIKeyGXRSTJMUWBFVLD-RPLLCQBOSA-N
XLogP5.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one with MolForge

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Launch Full Analysis

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-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one?
The IUPAC name of 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one (CID 127027429) is 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one.
What is the SMILES notation for 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one?
The canonical SMILES for 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one is Nc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1CC[C@H](c2ccc3ccccc3c2)O1.
What is the InChIKey of 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one?
The InChIKey is GXRSTJMUWBFVLD-RPLLCQBOSA-N. The full InChI is InChI=1S/C29H25N3O2/c30-29-31-26-17-22(19-6-2-1-3-7-19)12-14-25(26)28(33)32(29)18-24-13-15-27(34-24)23-11-10-20-8-4-5-9-21(20)16-23/h1-12,14,16-17,24,27H,13,15,18H2,(H2,30,31)/t24-,27+/m0/s1.
What are the key properties of 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one?
2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one has a molecular weight of 447.54 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(2S,5R)-5-naphthalen-2-yloxolan-2-yl]methyl]-7-phenylquinazolin-4-one is sourced from PubChem (CID 127027429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).