2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline

C24H27N3 — CID 6565616

IUPAC2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline
SMILESCC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H27N3/c1-23(2)13-18-14-24(3,15-23)16-27(18)22-19-11-7-8-12-20(19)25-21(26-22)17-9-5-4-6-10-17/h4-12,18H,13-16H2,1-3H3/t18-,24-/m0/s1
InChIKeyHHYLTYRWMUMJHY-UUOWRZLLSA-N
MW357.50 g/mol
LogP5.70
Rot. Bonds2

About 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline

2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline (PubChem CID 6565616) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline
PubChem CID6565616
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline
SMILESCC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C24H27N3/c1-23(2)13-18-14-24(3,15-23)16-27(18)22-19-11-7-8-12-20(19)25-21(26-22)17-9-5-4-6-10-17/h4-12,18H,13-16H2,1-3H3/t18-,24-/m0/s1
InChIKeyHHYLTYRWMUMJHY-UUOWRZLLSA-N
XLogP5.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline 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 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline?
The IUPAC name of 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline (CID 6565616) is 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline?
The canonical SMILES for 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline is CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline?
The InChIKey is HHYLTYRWMUMJHY-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H27N3/c1-23(2)13-18-14-24(3,15-23)16-27(18)22-19-11-7-8-12-20(19)25-21(26-22)17-9-5-4-6-10-17/h4-12,18H,13-16H2,1-3H3/t18-,24-/m0/s1.
What are the key properties of 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline?
2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline has a molecular weight of 357.50 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinazoline is sourced from PubChem (CID 6565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).