1-ethyl-3-(quinoline-5-carbonylamino)urea

C13H14N4O2 — CID 75417515

IUPAC1-ethyl-3-(quinoline-5-carbonylamino)urea
SMILESCCNC(=O)NNC(=O)c1cccc2ncccc12
InChIInChI=1S/C13H14N4O2/c1-2-14-13(19)17-16-12(18)10-5-3-7-11-9(10)6-4-8-15-11/h3-8H,2H2,1H3,(H,16,18)(H2,14,17,19)
InChIKeyXQQQQSCPRULGHY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.20
Rot. Bonds2

About 1-ethyl-3-(quinoline-5-carbonylamino)urea

1-ethyl-3-(quinoline-5-carbonylamino)urea (PubChem CID 75417515) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-ethyl-3-(quinoline-5-carbonylamino)urea.

Molecular Properties

Compound Name1-ethyl-3-(quinoline-5-carbonylamino)urea
PubChem CID75417515
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-ethyl-3-(quinoline-5-carbonylamino)urea
SMILESCCNC(=O)NNC(=O)c1cccc2ncccc12
InChIInChI=1S/C13H14N4O2/c1-2-14-13(19)17-16-12(18)10-5-3-7-11-9(10)6-4-8-15-11/h3-8H,2H2,1H3,(H,16,18)(H2,14,17,19)
InChIKeyXQQQQSCPRULGHY-UHFFFAOYSA-N
XLogP1.20
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
CID 26021205
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
N-[2-(chloromethyl)-2-ethylbutyl]quinoline-5-carboxamide
CID 106253827
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
CID 106118002
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(quinoline-5-carbonylamino)urea?
The IUPAC name of 1-ethyl-3-(quinoline-5-carbonylamino)urea (CID 75417515) is 1-ethyl-3-(quinoline-5-carbonylamino)urea.
What is the SMILES notation for 1-ethyl-3-(quinoline-5-carbonylamino)urea?
The canonical SMILES for 1-ethyl-3-(quinoline-5-carbonylamino)urea is CCNC(=O)NNC(=O)c1cccc2ncccc12.
What is the InChIKey of 1-ethyl-3-(quinoline-5-carbonylamino)urea?
The InChIKey is XQQQQSCPRULGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-14-13(19)17-16-12(18)10-5-3-7-11-9(10)6-4-8-15-11/h3-8H,2H2,1H3,(H,16,18)(H2,14,17,19).
What are the key properties of 1-ethyl-3-(quinoline-5-carbonylamino)urea?
1-ethyl-3-(quinoline-5-carbonylamino)urea has a molecular weight of 258.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(quinoline-5-carbonylamino)urea is sourced from PubChem (CID 75417515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).