(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium

C12H19N2+ — CID 174134577

IUPAC(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium
SMILESCC1NC=[N+](C)C2=C1C=CC(C)[C@H]2C
InChIInChI=1S/C12H18N2/c1-8-5-6-11-10(3)13-7-14(4)12(11)9(8)2/h5-10H,1-4H3/p+1/t8?,9-,10?/m1/s1
InChIKeyLUPKVYDUTGHEDO-HWOCKDDLSA-O
MW191.30 g/mol
LogP1.74
Rot. Bonds

About (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium

(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium (PubChem CID 174134577) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium.

Molecular Properties

Compound Name(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium
PubChem CID174134577
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Name(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium
SMILESCC1NC=[N+](C)C2=C1C=CC(C)[C@H]2C
InChIInChI=1S/C12H18N2/c1-8-5-6-11-10(3)13-7-14(4)12(11)9(8)2/h5-10H,1-4H3/p+1/t8?,9-,10?/m1/s1
InChIKeyLUPKVYDUTGHEDO-HWOCKDDLSA-O
XLogP1.74
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium?
The IUPAC name of (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium (CID 174134577) is (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium.
What is the SMILES notation for (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium?
The canonical SMILES for (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium is CC1NC=[N+](C)C2=C1C=CC(C)[C@H]2C.
What is the InChIKey of (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium?
The InChIKey is LUPKVYDUTGHEDO-HWOCKDDLSA-O. The full InChI is InChI=1S/C12H18N2/c1-8-5-6-11-10(3)13-7-14(4)12(11)9(8)2/h5-10H,1-4H3/p+1/t8?,9-,10?/m1/s1.
What are the key properties of (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium?
(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium has a molecular weight of 191.30 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium is sourced from PubChem (CID 174134577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).