(2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C29H38N4O — CID 45486364

IUPAC(2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C29H38N4O/c1-3-15-32(24-11-12-25-23(22-24)7-6-10-29(25)34-2)19-16-31-17-20-33(21-18-31)28-13-14-30-27-9-5-4-8-26(27)28/h4-10,13-14,24H,3,11-12,15-22H2,1-2H3/t24-/m0/s1
InChIKeyZLYZZQJTZBMSMX-DEOSSOPVSA-N
MW458.65 g/mol
LogP4.63
Rot. Bonds8

About (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 45486364) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID45486364
Molecular FormulaC29H38N4O
Molecular Weight458.65 g/mol
Exact Mass458.30
IUPAC Name(2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C29H38N4O/c1-3-15-32(24-11-12-25-23(22-24)7-6-10-29(25)34-2)19-16-31-17-20-33(21-18-31)28-13-14-30-27-9-5-4-8-26(27)28/h4-10,13-14,24H,3,11-12,15-22H2,1-2H3/t24-/m0/s1
InChIKeyZLYZZQJTZBMSMX-DEOSSOPVSA-N
XLogP4.63
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 45486364) is (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCN1CCN(c2ccnc3ccccc23)CC1)[C@H]1CCc2c(cccc2OC)C1.
What is the InChIKey of (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZLYZZQJTZBMSMX-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H38N4O/c1-3-15-32(24-11-12-25-23(22-24)7-6-10-29(25)34-2)19-16-31-17-20-33(21-18-31)28-13-14-30-27-9-5-4-8-26(27)28/h4-10,13-14,24H,3,11-12,15-22H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 458.65 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-N-propyl-N-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 45486364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).