3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea

C18H25ClN4O — CID 118763585

IUPAC3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea
SMILESCCN(CC)CCN(CC)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C18H25ClN4O/c1-4-22(5-2)12-13-23(6-3)18(24)21-16-10-9-15(19)17-14(16)8-7-11-20-17/h7-11H,4-6,12-13H2,1-3H3,(H,21,24)
InChIKeyKKLXEQAACNHUEK-UHFFFAOYSA-N
MW348.88 g/mol
LogP4.08
Rot. Bonds7

About 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea

3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea (PubChem CID 118763585) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea.

Molecular Properties

Compound Name3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea
PubChem CID118763585
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea
SMILESCCN(CC)CCN(CC)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C18H25ClN4O/c1-4-22(5-2)12-13-23(6-3)18(24)21-16-10-9-15(19)17-14(16)8-7-11-20-17/h7-11H,4-6,12-13H2,1-3H3,(H,21,24)
InChIKeyKKLXEQAACNHUEK-UHFFFAOYSA-N
XLogP4.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
1,1-diethyl-3-(4,7-phenanthrolin-5-yl)urea
CID 4016774
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103732428
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea?
The IUPAC name of 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea (CID 118763585) is 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea.
What is the SMILES notation for 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea?
The canonical SMILES for 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea is CCN(CC)CCN(CC)C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea?
The InChIKey is KKLXEQAACNHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-4-22(5-2)12-13-23(6-3)18(24)21-16-10-9-15(19)17-14(16)8-7-11-20-17/h7-11H,4-6,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea?
3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea has a molecular weight of 348.88 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroquinolin-5-yl)-1-[2-(diethylamino)ethyl]-1-ethylurea is sourced from PubChem (CID 118763585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).