1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol

C29H36N6O3 — CID 155522897

IUPAC1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol
SMILESOC(CNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21)CN1CCOCC1
InChIInChI=1S/C29H36N6O3/c36-21(20-35-13-17-38-18-14-35)19-33-27-6-8-32-29-23-1-3-24-26(30-9-10-34-11-15-37-16-12-34)5-7-31-28(24)22(23)2-4-25(27)29/h1-8,21,36H,9-20H2,(H,30,31)(H,32,33)
InChIKeyUBMINQOIPCPTSP-UHFFFAOYSA-N
MW516.65 g/mol
LogP2.79
Rot. Bonds9

About 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol

1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol (PubChem CID 155522897) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol
PubChem CID155522897
Molecular FormulaC29H36N6O3
Molecular Weight516.65 g/mol
Exact Mass516.28
IUPAC Name1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol
SMILESOC(CNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21)CN1CCOCC1
InChIInChI=1S/C29H36N6O3/c36-21(20-35-13-17-38-18-14-35)19-33-27-6-8-32-29-23-1-3-24-26(30-9-10-34-11-15-37-16-12-34)5-7-31-28(24)22(23)2-4-25(27)29/h1-8,21,36H,9-20H2,(H,30,31)(H,32,33)
InChIKeyUBMINQOIPCPTSP-UHFFFAOYSA-N
XLogP2.79
TPSA95.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133481608
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
CID 107797947
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
1-[(6-methyl-2-pyridinyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 10966962

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol (CID 155522897) is 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol is OC(CNc1ccnc2c1ccc1c2ccc2c(NCCN3CCOCC3)ccnc21)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol?
The InChIKey is UBMINQOIPCPTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3/c36-21(20-35-13-17-38-18-14-35)19-33-27-6-8-32-29-23-1-3-24-26(30-9-10-34-11-15-37-16-12-34)5-7-31-28(24)22(23)2-4-25(27)29/h1-8,21,36H,9-20H2,(H,30,31)(H,32,33).
What are the key properties of 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol?
1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol has a molecular weight of 516.65 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[7-(2-morpholin-4-ylethylamino)quinolino[8,7-h]quinolin-1-yl]amino]propan-2-ol is sourced from PubChem (CID 155522897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).