1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C16H18N6O — CID 124728310

IUPAC1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCCc1cc(NC(=O)N[C@@H](C)c2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C16H18N6O/c1-3-11-8-14(12-6-4-5-7-13(12)20-11)21-16(23)19-10(2)15-17-9-18-22-15/h4-10H,3H2,1-2H3,(H,17,18,22)(H2,19,20,21,23)/t10-/m0/s1
InChIKeyDHSAJBTXYSOMBX-JTQLQIEISA-N
MW310.36 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 124728310) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID124728310
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESCCc1cc(NC(=O)N[C@@H](C)c2ncn[nH]2)c2ccccc2n1
InChIInChI=1S/C16H18N6O/c1-3-11-8-14(12-6-4-5-7-13(12)20-11)21-16(23)19-10(2)15-17-9-18-22-15/h4-10H,3H2,1-2H3,(H,17,18,22)(H2,19,20,21,23)/t10-/m0/s1
InChIKeyDHSAJBTXYSOMBX-JTQLQIEISA-N
XLogP2.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 135397887
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-4-quinolinylacetamide
CID 973895
2-phenyl-N-(1H-pyrazol-5-yl)quinazolin-4-amine
CID 9814443
N-(5-methyl-1H-pyrazol-3-yl)-2-(pyridin-4-yl)quinazolin-4-amine
CID 9901007
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 9945436
2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
CID 11196978
1-benzyl-3-[3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]phenyl]urea
CID 11567501
N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390291
N-cyclopentyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57395546
N-(2-methylphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57397372

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 124728310) is 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea is CCc1cc(NC(=O)N[C@@H](C)c2ncn[nH]2)c2ccccc2n1.
What is the InChIKey of 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is DHSAJBTXYSOMBX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-11-8-14(12-6-4-5-7-13(12)20-11)21-16(23)19-10(2)15-17-9-18-22-15/h4-10H,3H2,1-2H3,(H,17,18,22)(H2,19,20,21,23)/t10-/m0/s1.
What are the key properties of 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 124728310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).