2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol

C23H22N4O — CID 169491178

IUPAC2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1
InChIInChI=1S/C23H22N4O/c1-23(2,28)19-10-18(13-24-14-19)17-8-9-21-20(11-17)22(27-15-26-21)25-12-16-6-4-3-5-7-16/h3-11,13-15,28H,12H2,1-2H3,(H,25,26,27)
InChIKeyXKJQXYVFDWQXAZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.53
Rot. Bonds5

About 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol

2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol (PubChem CID 169491178) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
PubChem CID169491178
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1
InChIInChI=1S/C23H22N4O/c1-23(2,28)19-10-18(13-24-14-19)17-8-9-21-20(11-17)22(27-15-26-21)25-12-16-6-4-3-5-7-16/h3-11,13-15,28H,12H2,1-2H3,(H,25,26,27)
InChIKeyXKJQXYVFDWQXAZ-UHFFFAOYSA-N
XLogP4.53
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol (CID 169491178) is 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-c2ccc3ncnc(NCc4ccccc4)c3c2)c1.
What is the InChIKey of 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is XKJQXYVFDWQXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-23(2,28)19-10-18(13-24-14-19)17-8-9-21-20(11-17)22(27-15-26-21)25-12-16-6-4-3-5-7-16/h3-11,13-15,28H,12H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol?
2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 370.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(benzylamino)quinazolin-6-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 169491178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).