1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone

C35H44N6O2 — CID 71140948

IUPAC1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone
SMILESO=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)C3CCCc4cccnc43)c21)N1CCOCC1
InChIInChI=1S/C35H44N6O2/c42-33(39-21-23-43-24-22-39)26-41-31-12-3-2-11-28(31)29-14-16-36-30(35(29)41)25-40(20-8-19-38-17-4-1-5-18-38)32-13-6-9-27-10-7-15-37-34(27)32/h2-3,7,10-12,14-16,32H,1,4-6,8-9,13,17-26H2
InChIKeyOOBKVJZJOKXIML-UHFFFAOYSA-N
MW580.78 g/mol
LogP5.20
Rot. Bonds9

About 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone

1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone (PubChem CID 71140948) has the molecular formula C35H44N6O2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone
PubChem CID71140948
Molecular FormulaC35H44N6O2
Molecular Weight580.78 g/mol
Exact Mass580.35
IUPAC Name1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone
SMILESO=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)C3CCCc4cccnc43)c21)N1CCOCC1
InChIInChI=1S/C35H44N6O2/c42-33(39-21-23-43-24-22-39)26-41-31-12-3-2-11-28(31)29-14-16-36-30(35(29)41)25-40(20-8-19-38-17-4-1-5-18-38)32-13-6-9-27-10-7-15-37-34(27)32/h2-3,7,10-12,14-16,32H,1,4-6,8-9,13,17-26H2
InChIKeyOOBKVJZJOKXIML-UHFFFAOYSA-N
XLogP5.20
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone (CID 71140948) is 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone is O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCCCC3)C3CCCc4cccnc43)c21)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?
The InChIKey is OOBKVJZJOKXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N6O2/c42-33(39-21-23-43-24-22-39)26-41-31-12-3-2-11-28(31)29-14-16-36-30(35(29)41)25-40(20-8-19-38-17-4-1-5-18-38)32-13-6-9-27-10-7-15-37-34(27)32/h2-3,7,10-12,14-16,32H,1,4-6,8-9,13,17-26H2.
What are the key properties of 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone?
1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone has a molecular weight of 580.78 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[1-[[3-piperidin-1-ylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrido[3,4-b]indol-9-yl]ethanone is sourced from PubChem (CID 71140948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).