1-butan-2-yl-3-(quinolin-8-ylmethyl)urea

C15H19N3O — CID 47470602

IUPAC1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
SMILESCCC(C)NC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H19N3O/c1-3-11(2)18-15(19)17-10-13-7-4-6-12-8-5-9-16-14(12)13/h4-9,11H,3,10H2,1-2H3,(H2,17,18,19)
InChIKeyKCKBYIJDMUFMMY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.83
Rot. Bonds4

About 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea

1-butan-2-yl-3-(quinolin-8-ylmethyl)urea (PubChem CID 47470602) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
PubChem CID47470602
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
SMILESCCC(C)NC(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H19N3O/c1-3-11(2)18-15(19)17-10-13-7-4-6-12-8-5-9-16-14(12)13/h4-9,11H,3,10H2,1-2H3,(H2,17,18,19)
InChIKeyKCKBYIJDMUFMMY-UHFFFAOYSA-N
XLogP2.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
1-[(2R)-butan-2-yl]-3-[[2-(4-methoxyphenyl)-3-pyridinyl]methyl]urea
CID 95096708
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 71869938
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
1-(3-hydroxypropyl)-3-(quinolin-8-ylmethyl)urea
CID 110909304
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea (CID 47470602) is 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea is CCC(C)NC(=O)NCc1cccc2cccnc12.
What is the InChIKey of 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea?
The InChIKey is KCKBYIJDMUFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11(2)18-15(19)17-10-13-7-4-6-12-8-5-9-16-14(12)13/h4-9,11H,3,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea?
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea has a molecular weight of 257.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 47470602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).