[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol

C21H33N3O3 — CID 3049022

IUPAC[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol
SMILESCCN(CC)CCCC(C)Nc1cc(OC)c2nccc(CO)c2c1OC
InChIInChI=1S/C21H33N3O3/c1-6-24(7-2)12-8-9-15(3)23-17-13-18(26-4)20-19(21(17)27-5)16(14-25)10-11-22-20/h10-11,13,15,23,25H,6-9,12,14H2,1-5H3
InChIKeyXBYILEKMFVLNDJ-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.67
Rot. Bonds11

About [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol

[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol (PubChem CID 3049022) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol.

Molecular Properties

Compound Name[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol
PubChem CID3049022
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol
SMILESCCN(CC)CCCC(C)Nc1cc(OC)c2nccc(CO)c2c1OC
InChIInChI=1S/C21H33N3O3/c1-6-24(7-2)12-8-9-15(3)23-17-13-18(26-4)20-19(21(17)27-5)16(14-25)10-11-22-20/h10-11,13,15,23,25H,6-9,12,14H2,1-5H3
InChIKeyXBYILEKMFVLNDJ-UHFFFAOYSA-N
XLogP3.67
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol?
The IUPAC name of [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol (CID 3049022) is [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol.
What is the SMILES notation for [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol?
The canonical SMILES for [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol is CCN(CC)CCCC(C)Nc1cc(OC)c2nccc(CO)c2c1OC.
What is the InChIKey of [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol?
The InChIKey is XBYILEKMFVLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-6-24(7-2)12-8-9-15(3)23-17-13-18(26-4)20-19(21(17)27-5)16(14-25)10-11-22-20/h10-11,13,15,23,25H,6-9,12,14H2,1-5H3.
What are the key properties of [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol?
[6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol has a molecular weight of 375.51 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(diethylamino)pentan-2-ylamino]-5,8-dimethoxyquinolin-4-yl]methanol is sourced from PubChem (CID 3049022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).