(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline

C15H16N2O — CID 129404358

IUPAC(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline
SMILESCOc1ccccc1[C@@H]1NCc2ccccc2N1
InChIInChI=1S/C15H16N2O/c1-18-14-9-5-3-7-12(14)15-16-10-11-6-2-4-8-13(11)17-15/h2-9,15-17H,10H2,1H3/t15-/m1/s1
InChIKeyNJSVNEYHITUQSI-OAHLLOKOSA-N
MW240.31 g/mol
LogP2.91
Rot. Bonds2

About (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline

(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline (PubChem CID 129404358) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline
PubChem CID129404358
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline
SMILESCOc1ccccc1[C@@H]1NCc2ccccc2N1
InChIInChI=1S/C15H16N2O/c1-18-14-9-5-3-7-12(14)15-16-10-11-6-2-4-8-13(11)17-15/h2-9,15-17H,10H2,1H3/t15-/m1/s1
InChIKeyNJSVNEYHITUQSI-OAHLLOKOSA-N
XLogP2.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129365938
(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129365939
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
1-[(2-methoxyphenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104609
5-fluoro-1-(2-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737138
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
4-(2-methoxyphenyl)piperidine
CID 544738
2-(2-methoxyphenyl)-2,3-dihydro-1H-indol-5-ol
CID 84702637
5-(2-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286361
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
CID 2327236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline (CID 129404358) is (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline is COc1ccccc1[C@@H]1NCc2ccccc2N1.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline?
The InChIKey is NJSVNEYHITUQSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-14-9-5-3-7-12(14)15-16-10-11-6-2-4-8-13(11)17-15/h2-9,15-17H,10H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline?
(2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline has a molecular weight of 240.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 129404358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).