[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol

C22H25N3O3 — CID 9311249

IUPAC[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc2nc(-c3ccccc3)nc(N3CCC[C@H](CO)C3)c2cc1OC
InChIInChI=1S/C22H25N3O3/c1-27-19-11-17-18(12-20(19)28-2)23-21(16-8-4-3-5-9-16)24-22(17)25-10-6-7-15(13-25)14-26/h3-5,8-9,11-12,15,26H,6-7,10,13-14H2,1-2H3/t15-/m0/s1
InChIKeySEVDKJCPHREFOE-HNNXBMFYSA-N
MW379.46 g/mol
LogP3.52
Rot. Bonds5

About [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol

[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol (PubChem CID 9311249) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
PubChem CID9311249
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc2nc(-c3ccccc3)nc(N3CCC[C@H](CO)C3)c2cc1OC
InChIInChI=1S/C22H25N3O3/c1-27-19-11-17-18(12-20(19)28-2)23-21(16-8-4-3-5-9-16)24-22(17)25-10-6-7-15(13-25)14-26/h3-5,8-9,11-12,15,26H,6-7,10,13-14H2,1-2H3/t15-/m0/s1
InChIKeySEVDKJCPHREFOE-HNNXBMFYSA-N
XLogP3.52
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-7-methoxy-4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
CID 73355398
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
6,7-dimethoxy-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
CID 22997425
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
4-benzyl-1-[2-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-yl]piperidin-4-ol
CID 68860270
4-(6,7-dimethoxy-2-phenylquinazolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22707703
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
CID 142582671
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526
[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154580821
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol (CID 9311249) is [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol is COc1cc2nc(-c3ccccc3)nc(N3CCC[C@H](CO)C3)c2cc1OC.
What is the InChIKey of [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is SEVDKJCPHREFOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-19-11-17-18(12-20(19)28-2)23-21(16-8-4-3-5-9-16)24-22(17)25-10-6-7-15(13-25)14-26/h3-5,8-9,11-12,15,26H,6-7,10,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol?
[(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 379.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6,7-dimethoxy-2-phenylquinazolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 9311249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).