[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol

C20H22N4O — CID 166238124

IUPAC[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCC1CC(CO)CN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C20H22N4O/c1-14-9-15(13-25)12-24(11-14)20-17-6-2-3-7-18(17)22-19(23-20)16-5-4-8-21-10-16/h2-8,10,14-15,25H,9,11-13H2,1H3
InChIKeyMUIRCECVPCQDRB-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.15
Rot. Bonds3

About [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol

[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol (PubChem CID 166238124) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
PubChem CID166238124
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCC1CC(CO)CN(c2nc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C20H22N4O/c1-14-9-15(13-25)12-24(11-14)20-17-6-2-3-7-18(17)22-19(23-20)16-5-4-8-21-10-16/h2-8,10,14-15,25H,9,11-13H2,1H3
InChIKeyMUIRCECVPCQDRB-UHFFFAOYSA-N
XLogP3.15
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
(3R,5R)-5-[(dimethylamino)methyl]-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-ol
CID 166296812
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
[3-(methoxymethyl)-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidin-3-yl]methanol
CID 166235551
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
N-phenyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-amine
CID 133363141
2-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-2-yl]ethanol
CID 78819129

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol (CID 166238124) is [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol is CC1CC(CO)CN(c2nc(-c3cccnc3)nc3ccccc23)C1.
What is the InChIKey of [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is MUIRCECVPCQDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-9-15(13-25)12-24(11-14)20-17-6-2-3-7-18(17)22-19(23-20)16-5-4-8-21-10-16/h2-8,10,14-15,25H,9,11-13H2,1H3.
What are the key properties of [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol?
[5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 334.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 166238124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).