1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol

C17H23N3O3 — CID 91207710

IUPAC1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2cncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C17H23N3O3/c1-22-16-7-13-9-18-12-19-15(13)8-17(16)23-11-14(21)10-20-5-3-2-4-6-20/h7-9,12,14,21H,2-6,10-11H2,1H3
InChIKeyUTRYCKNLSDENDJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.86
Rot. Bonds6

About 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol

1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 91207710) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID91207710
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol
SMILESCOc1cc2cncnc2cc1OCC(O)CN1CCCCC1
InChIInChI=1S/C17H23N3O3/c1-22-16-7-13-9-18-12-19-15(13)8-17(16)23-11-14(21)10-20-5-3-2-4-6-20/h7-9,12,14,21H,2-6,10-11H2,1H3
InChIKeyUTRYCKNLSDENDJ-UHFFFAOYSA-N
XLogP1.86
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45179895
1-(azocan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45204586
1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
CID 10160964
1-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-3-piperidin-1-ylpropan-2-ol
CID 72892821
1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007
1-(azocan-1-yl)-3-[4-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45251722
1-(azepan-1-yl)-3-[4-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 72915580
(2S)-1-(azocan-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 28957254
4-[[4-[(2S)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456669
4-[[4-[(2R)-3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-2-one
CID 25456679
methyl 4-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperazine-1-carboxylate
CID 172666073

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol (CID 91207710) is 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol is COc1cc2cncnc2cc1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is UTRYCKNLSDENDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-22-16-7-13-9-18-12-19-15(13)8-17(16)23-11-14(21)10-20-5-3-2-4-6-20/h7-9,12,14,21H,2-6,10-11H2,1H3.
What are the key properties of 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol?
1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 317.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinazolin-7-yl)oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 91207710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).