[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea

C18H15N3O — CID 54607332

IUPAC[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(/C=C\c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c19-18(22)21-15-9-6-13(7-10-15)5-8-14-11-12-20-17-4-2-1-3-16(14)17/h1-12H,(H3,19,21,22)/b8-5-
InChIKeyUKYWSEGWWZMQDV-YVMONPNESA-N
MW289.34 g/mol
LogP3.90
Rot. Bonds3

About [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea

[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea (PubChem CID 54607332) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea.

Molecular Properties

Compound Name[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea
PubChem CID54607332
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea
SMILESNC(=O)Nc1ccc(/C=C\c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H15N3O/c19-18(22)21-15-9-6-13(7-10-15)5-8-14-11-12-20-17-4-2-1-3-16(14)17/h1-12H,(H3,19,21,22)/b8-5-
InChIKeyUKYWSEGWWZMQDV-YVMONPNESA-N
XLogP3.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-amino-5-oxo-5-[4-(2-quinolin-4-ylethenyl)anilino]pentanoic acid
CID 66963331
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide
CID 92527917
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
CID 97359293
trimethyl-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]azanium
CID 53315508
4-quinolin-4-ylbut-3-enamide
CID 170798108
2-[N-methyl-4-[(E)-2-quinolin-4-ylethenyl]anilino]acetic acid
CID 6052943
[4-(2-quinolin-4-ylethenyl)phenyl] 2-methylprop-2-enoate
CID 67642665
(E)-3-quinolin-4-ylprop-2-enal
CID 10419846
N-(2-quinolin-4-ylethenyl)aniline
CID 154091983
4-[(Z)-prop-1-enyl]quinoline
CID 89064507
N,N-dihexyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
CID 6242352

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea?
The IUPAC name of [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea (CID 54607332) is [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea.
What is the SMILES notation for [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea?
The canonical SMILES for [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea is NC(=O)Nc1ccc(/C=C\c2ccnc3ccccc23)cc1.
What is the InChIKey of [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea?
The InChIKey is UKYWSEGWWZMQDV-YVMONPNESA-N. The full InChI is InChI=1S/C18H15N3O/c19-18(22)21-15-9-6-13(7-10-15)5-8-14-11-12-20-17-4-2-1-3-16(14)17/h1-12H,(H3,19,21,22)/b8-5-.
What are the key properties of [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea?
[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea has a molecular weight of 289.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-2-quinolin-4-ylethenyl]phenyl]urea is sourced from PubChem (CID 54607332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).