1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea

C20H29N3O2 — CID 110662870

IUPAC1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea
SMILESCC(C)c1ccc2[nH]c(=O)c(CCNC(=O)NCC(C)(C)C)cc2c1
InChIInChI=1S/C20H29N3O2/c1-13(2)14-6-7-17-16(10-14)11-15(18(24)23-17)8-9-21-19(25)22-12-20(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,23,24)(H2,21,22,25)
InChIKeyZSVFMZMAIPZWAZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.54
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea

1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea (PubChem CID 110662870) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea
PubChem CID110662870
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea
SMILESCC(C)c1ccc2[nH]c(=O)c(CCNC(=O)NCC(C)(C)C)cc2c1
InChIInChI=1S/C20H29N3O2/c1-13(2)14-6-7-17-16(10-14)11-15(18(24)23-17)8-9-21-19(25)22-12-20(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,23,24)(H2,21,22,25)
InChIKeyZSVFMZMAIPZWAZ-UHFFFAOYSA-N
XLogP3.54
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea with MolForge

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Related Compounds

N-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662860
N-[3-(dimethylamino)propyl]-3-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)propanamide
CID 110331789
2-(4-chlorophenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325570
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
2-(2-methoxyphenoxy)-N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]acetamide
CID 110325585
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-propylurea
CID 110414626
2-cyclopropyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110415384
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
1-tert-butyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110662896
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea (CID 110662870) is 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea is CC(C)c1ccc2[nH]c(=O)c(CCNC(=O)NCC(C)(C)C)cc2c1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea?
The InChIKey is ZSVFMZMAIPZWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)14-6-7-17-16(10-14)11-15(18(24)23-17)8-9-21-19(25)22-12-20(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea?
1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea has a molecular weight of 343.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[2-(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)ethyl]urea is sourced from PubChem (CID 110662870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).