2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol

C20H22N4O — CID 78819129

IUPAC2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H22N4O/c25-13-10-16-7-3-4-12-24(16)20-17-8-1-2-9-18(17)22-19(23-20)15-6-5-11-21-14-15/h1-2,5-6,8-9,11,14,16,25H,3-4,7,10,12-13H2
InChIKeyCKXBBIGURYCMQT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds4

About 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol

2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol (PubChem CID 78819129) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol
PubChem CID78819129
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H22N4O/c25-13-10-16-7-3-4-12-24(16)20-17-8-1-2-9-18(17)22-19(23-20)15-6-5-11-21-14-15/h1-2,5-6,8-9,11,14,16,25H,3-4,7,10,12-13H2
InChIKeyCKXBBIGURYCMQT-UHFFFAOYSA-N
XLogP3.43
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
CID 166296812
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 166238124
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
CID 166235551

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol (CID 78819129) is 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol is OCCC1CCCCN1c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is CKXBBIGURYCMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-13-10-16-7-3-4-12-24(16)20-17-8-1-2-9-18(17)22-19(23-20)15-6-5-11-21-14-15/h1-2,5-6,8-9,11,14,16,25H,3-4,7,10,12-13H2.
What are the key properties of 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol?
2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 334.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 78819129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).