(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol

C20H23N5O — CID 95150705

IUPAC(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C20H23N5O/c1-15(26)14-24-10-12-25(13-11-24)20-17-4-2-3-5-18(17)22-19(23-20)16-6-8-21-9-7-16/h2-9,15,26H,10-14H2,1H3/t15-/m1/s1
InChIKeyNBTMMTQCWMALLC-OAHLLOKOSA-N
MW349.44 g/mol
LogP2.19
Rot. Bonds4

About (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 95150705) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID95150705
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C20H23N5O/c1-15(26)14-24-10-12-25(13-11-24)20-17-4-2-3-5-18(17)22-19(23-20)16-6-8-21-9-7-16/h2-9,15,26H,10-14H2,1H3/t15-/m1/s1
InChIKeyNBTMMTQCWMALLC-OAHLLOKOSA-N
XLogP2.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol (CID 95150705) is (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is NBTMMTQCWMALLC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(26)14-24-10-12-25(13-11-24)20-17-4-2-3-5-18(17)22-19(23-20)16-6-8-21-9-7-16/h2-9,15,26H,10-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 349.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95150705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).