1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea

C23H21N3O — CID 99785833

IUPAC1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
SMILESC[C@H](NC(=O)NCc1cccc2cccnc12)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O/c1-16(20-13-5-8-17-7-2-3-12-21(17)20)26-23(27)25-15-19-10-4-9-18-11-6-14-24-22(18)19/h2-14,16H,15H2,1H3,(H2,25,26,27)/t16-/m0/s1
InChIKeyHSMLOCOLCVDDTM-INIZCTEOSA-N
MW355.44 g/mol
LogP4.95
Rot. Bonds4

About 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea

1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea (PubChem CID 99785833) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
PubChem CID99785833
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
SMILESC[C@H](NC(=O)NCc1cccc2cccnc12)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O/c1-16(20-13-5-8-17-7-2-3-12-21(17)20)26-23(27)25-15-19-10-4-9-18-11-6-14-24-22(18)19/h2-14,16H,15H2,1H3,(H2,25,26,27)/t16-/m0/s1
InChIKeyHSMLOCOLCVDDTM-INIZCTEOSA-N
XLogP4.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 71869938
N-[1-(2-methylphenyl)ethyl]-2-quinolin-8-ylacetamide
CID 51320797
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
3-(propan-2-ylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427173
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea (CID 99785833) is 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea is C[C@H](NC(=O)NCc1cccc2cccnc12)c1cccc2ccccc12.
What is the InChIKey of 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea?
The InChIKey is HSMLOCOLCVDDTM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16(20-13-5-8-17-7-2-3-12-21(17)20)26-23(27)25-15-19-10-4-9-18-11-6-14-24-22(18)19/h2-14,16H,15H2,1H3,(H2,25,26,27)/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea?
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea has a molecular weight of 355.44 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 99785833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).