(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline

C14H14N2 — CID 129365939

IUPAC(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESc1ccc([C@H]2NCc3ccccc3N2)cc1
InChIInChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-9,14-16H,10H2/t14-/m0/s1
InChIKeyZPOOXQHMBHARAH-AWEZNQCLSA-N
MW210.28 g/mol
LogP2.90
Rot. Bonds1

About (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline

(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline (PubChem CID 129365939) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline
PubChem CID129365939
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESc1ccc([C@H]2NCc3ccccc3N2)cc1
InChIInChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-9,14-16H,10H2/t14-/m0/s1
InChIKeyZPOOXQHMBHARAH-AWEZNQCLSA-N
XLogP2.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline (CID 129365939) is (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline is c1ccc([C@H]2NCc3ccccc3N2)cc1.
What is the InChIKey of (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is ZPOOXQHMBHARAH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h1-9,14-16H,10H2/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline?
(2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 210.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 129365939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).