1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea

C14H17N3O — CID 51928178

IUPAC1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
SMILESCC[C@@H](C)NC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C14H17N3O/c1-3-10(2)16-14(18)17-13-8-4-7-12-11(13)6-5-9-15-12/h4-10H,3H2,1-2H3,(H2,16,17,18)/t10-/m1/s1
InChIKeyJFBIXHBJUSEPLN-SNVBAGLBSA-N
MW243.31 g/mol
LogP3.15
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea

1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea (PubChem CID 51928178) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
PubChem CID51928178
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
SMILESCC[C@@H](C)NC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C14H17N3O/c1-3-10(2)16-14(18)17-13-8-4-7-12-11(13)6-5-9-15-12/h4-10H,3H2,1-2H3,(H2,16,17,18)/t10-/m1/s1
InChIKeyJFBIXHBJUSEPLN-SNVBAGLBSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-amino-N-quinolin-5-ylhexanamide
CID 54928381
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
methyl N-quinolin-5-ylcarbamate
CID 110734012
1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea
CID 52518973
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
1-butan-2-yl-3-(2-sulfanylphenyl)urea
CID 108886298

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea (CID 51928178) is 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea is CC[C@@H](C)NC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea?
The InChIKey is JFBIXHBJUSEPLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-10(2)16-14(18)17-13-8-4-7-12-11(13)6-5-9-15-12/h4-10H,3H2,1-2H3,(H2,16,17,18)/t10-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea?
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea has a molecular weight of 243.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea is sourced from PubChem (CID 51928178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).