N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C28H34N6 — CID 70923321

IUPACN-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H34N6/c1-2-9-24-22(8-1)23-11-13-30-25(28(23)32-24)20-34(17-5-16-33-18-14-29-15-19-33)26-10-3-6-21-7-4-12-31-27(21)26/h1-2,4,7-9,11-13,26,29,32H,3,5-6,10,14-20H2
InChIKeyMTHMOJWEZVPMBO-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.29
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 70923321) has the molecular formula C28H34N6 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID70923321
Molecular FormulaC28H34N6
Molecular Weight454.62 g/mol
Exact Mass454.28
IUPAC NameN-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C28H34N6/c1-2-9-24-22(8-1)23-11-13-30-25(28(23)32-24)20-34(17-5-16-33-18-14-29-15-19-33)26-10-3-6-21-7-4-12-31-27(21)26/h1-2,4,7-9,11-13,26,29,32H,3,5-6,10,14-20H2
InChIKeyMTHMOJWEZVPMBO-UHFFFAOYSA-N
XLogP4.29
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 70923321) is N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCCC2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MTHMOJWEZVPMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6/c1-2-9-24-22(8-1)23-11-13-30-25(28(23)32-24)20-34(17-5-16-33-18-14-29-15-19-33)26-10-3-6-21-7-4-12-31-27(21)26/h1-2,4,7-9,11-13,26,29,32H,3,5-6,10,14-20H2.
What are the key properties of N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 454.62 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-N-(9H-pyrido[3,4-b]indol-1-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 70923321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).