(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol

C21H23N3O3 — CID 69368621

IUPAC(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
SMILESCOc1cc2ncnc(N3CC[C@H](O)[C@H](c4ccccc4)C3)c2cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-19-10-15-17(11-20(19)27-2)22-13-23-21(15)24-9-8-18(25)16(12-24)14-6-4-3-5-7-14/h3-7,10-11,13,16,18,25H,8-9,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyMLLWGRKYYZOYGV-WMZOPIPTSA-N
MW365.43 g/mol
LogP3.00
Rot. Bonds4

About (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol

(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol (PubChem CID 69368621) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
PubChem CID69368621
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
SMILESCOc1cc2ncnc(N3CC[C@H](O)[C@H](c4ccccc4)C3)c2cc1OC
InChIInChI=1S/C21H23N3O3/c1-26-19-10-15-17(11-20(19)27-2)22-13-23-21(15)24-9-8-18(25)16(12-24)14-6-4-3-5-7-14/h3-7,10-11,13,16,18,25H,8-9,12H2,1-2H3/t16-,18-/m0/s1
InChIKeyMLLWGRKYYZOYGV-WMZOPIPTSA-N
XLogP3.00
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
CID 11545321
1-(6-ethoxy-7-methoxyquinazolin-4-yl)-5-phenylpiperidin-3-ol
CID 11581681
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea;ethane
CID 143371154
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethoxy-phenylphosphinic acid
CID 175033782
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
CID 11689657
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol (CID 69368621) is (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol is COc1cc2ncnc(N3CC[C@H](O)[C@H](c4ccccc4)C3)c2cc1OC.
What is the InChIKey of (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol?
The InChIKey is MLLWGRKYYZOYGV-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-19-10-15-17(11-20(19)27-2)22-13-23-21(15)24-9-8-18(25)16(12-24)14-6-4-3-5-7-14/h3-7,10-11,13,16,18,25H,8-9,12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol?
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol has a molecular weight of 365.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol is sourced from PubChem (CID 69368621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).