2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol

C22H21N3O — CID 163954192

IUPAC2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol
SMILESCc1ccc2c(N3CC4C5CCC3C54)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C22H21N3O/c1-12-6-7-14-17(10-12)23-21(15-4-2-3-5-19(15)26)24-22(14)25-11-16-13-8-9-18(25)20(13)16/h2-7,10,13,16,18,20,26H,8-9,11H2,1H3
InChIKeySBXJODQCLVZWEC-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.16
Rot. Bonds2

About 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol

2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol (PubChem CID 163954192) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol
PubChem CID163954192
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol
SMILESCc1ccc2c(N3CC4C5CCC3C54)nc(-c3ccccc3O)nc2c1
InChIInChI=1S/C22H21N3O/c1-12-6-7-14-17(10-12)23-21(15-4-2-3-5-19(15)26)24-22(14)25-11-16-13-8-9-18(25)20(13)16/h2-7,10,13,16,18,20,26H,8-9,11H2,1H3
InChIKeySBXJODQCLVZWEC-UHFFFAOYSA-N
XLogP4.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol (CID 163954192) is 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol is Cc1ccc2c(N3CC4C5CCC3C54)nc(-c3ccccc3O)nc2c1.
What is the InChIKey of 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol?
The InChIKey is SBXJODQCLVZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-12-6-7-14-17(10-12)23-21(15-4-2-3-5-19(15)26)24-22(14)25-11-16-13-8-9-18(25)20(13)16/h2-7,10,13,16,18,20,26H,8-9,11H2,1H3.
What are the key properties of 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol?
2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol has a molecular weight of 343.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-azatricyclo[3.3.0.02,8]octan-4-yl)-7-methylquinazolin-2-yl]phenol is sourced from PubChem (CID 163954192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).