[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol

C23H27N3O3 — CID 133337541

IUPAC[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
SMILESCOc1cc(NC2CCN(c3nc4ccccc4cc3CO)CC2)cc(OC)c1
InChIInChI=1S/C23H27N3O3/c1-28-20-12-19(13-21(14-20)29-2)24-18-7-9-26(10-8-18)23-17(15-27)11-16-5-3-4-6-22(16)25-23/h3-6,11-14,18,24,27H,7-10,15H2,1-2H3
InChIKeyPZMKFVJMGKTVPC-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.83
Rot. Bonds6

About [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol

[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol (PubChem CID 133337541) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
PubChem CID133337541
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol
SMILESCOc1cc(NC2CCN(c3nc4ccccc4cc3CO)CC2)cc(OC)c1
InChIInChI=1S/C23H27N3O3/c1-28-20-12-19(13-21(14-20)29-2)24-18-7-9-26(10-8-18)23-17(15-27)11-16-5-3-4-6-22(16)25-23/h3-6,11-14,18,24,27H,7-10,15H2,1-2H3
InChIKeyPZMKFVJMGKTVPC-UHFFFAOYSA-N
XLogP3.83
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol (CID 133337541) is [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol is COc1cc(NC2CCN(c3nc4ccccc4cc3CO)CC2)cc(OC)c1.
What is the InChIKey of [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol?
The InChIKey is PZMKFVJMGKTVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-20-12-19(13-21(14-20)29-2)24-18-7-9-26(10-8-18)23-17(15-27)11-16-5-3-4-6-22(16)25-23/h3-6,11-14,18,24,27H,7-10,15H2,1-2H3.
What are the key properties of [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol?
[2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol has a molecular weight of 393.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,5-dimethoxyanilino)piperidin-1-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 133337541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).