1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea

C20H33N5O2 — CID 21115016

IUPAC1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
SMILESCCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12.NC(N)=O
InChIInChI=1S/C19H29N3O.CH4N2O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18;2-1(3)4/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3;(H4,2,3,4)
InChIKeyNZOLKJIIWOFIJC-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.19
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea

1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea (PubChem CID 21115016) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
PubChem CID21115016
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
SMILESCCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12.NC(N)=O
InChIInChI=1S/C19H29N3O.CH4N2O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18;2-1(3)4/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3;(H4,2,3,4)
InChIKeyNZOLKJIIWOFIJC-UHFFFAOYSA-N
XLogP3.19
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptan-2-yl-6-methoxyquinolin-8-amine
CID 70828579
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
(2S)-2-[[(2S)-2-aminopropanoyl]-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]amino]-4-methylpentanamide
CID 127261898
1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 42709762
(2R)-2-amino-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]pentanoic acid
CID 70681420
N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
CID 171352046
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methoxyphenyl)-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]acetamide
CID 42724213
N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide
CID 45489032
3-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 42709786
3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
CID 53324732
N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide
CID 97301861

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea?
The IUPAC name of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea (CID 21115016) is 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea is CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12.NC(N)=O.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea?
The InChIKey is NZOLKJIIWOFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.CH4N2O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18;2-1(3)4/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3;(H4,2,3,4).
What are the key properties of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea?
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea has a molecular weight of 375.52 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea is sourced from PubChem (CID 21115016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).