1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol

C26H29N3O3 — CID 57168911

IUPAC1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESCn1ccc2c(OC(O)CCN3CCC(O)(c4cnc5ccccc5c4)CC3)cccc21
InChIInChI=1S/C26H29N3O3/c1-28-13-9-21-23(28)7-4-8-24(21)32-25(30)10-14-29-15-11-26(31,12-16-29)20-17-19-5-2-3-6-22(19)27-18-20/h2-9,13,17-18,25,30-31H,10-12,14-16H2,1H3
InChIKeyCIEPUPCBCJJNSE-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.80
Rot. Bonds6

About 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol

1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol (PubChem CID 57168911) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol
PubChem CID57168911
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESCn1ccc2c(OC(O)CCN3CCC(O)(c4cnc5ccccc5c4)CC3)cccc21
InChIInChI=1S/C26H29N3O3/c1-28-13-9-21-23(28)7-4-8-24(21)32-25(30)10-14-29-15-11-26(31,12-16-29)20-17-19-5-2-3-6-22(19)27-18-20/h2-9,13,17-18,25,30-31H,10-12,14-16H2,1H3
InChIKeyCIEPUPCBCJJNSE-UHFFFAOYSA-N
XLogP3.80
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242446
1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 56981117
1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70237669
1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242410
1-[3-hydroxy-3-(1H-indol-4-yloxy)propyl]-4-isoquinolin-4-ylpiperidin-4-ol
CID 70240824
1-[4-[(2S)-2-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-3-methylphenyl]ethanone
CID 70240099
1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70240604
[2-[3-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-5-methylphenyl]-phenylmethanone
CID 21198021
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754292
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
cis-(1R,2S)-2-methoxy-1-quinolin-3-ylcyclohexan-1-ol
CID 67826676

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol (CID 57168911) is 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol is Cn1ccc2c(OC(O)CCN3CCC(O)(c4cnc5ccccc5c4)CC3)cccc21.
What is the InChIKey of 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
The InChIKey is CIEPUPCBCJJNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28-13-9-21-23(28)7-4-8-24(21)32-25(30)10-14-29-15-11-26(31,12-16-29)20-17-19-5-2-3-6-22(19)27-18-20/h2-9,13,17-18,25,30-31H,10-12,14-16H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol?
1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol has a molecular weight of 431.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol is sourced from PubChem (CID 57168911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).