1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C23H25N3O2 — CID 110324303

IUPAC1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C23H25N3O2/c1-15(2)16-9-7-10-19(13-16)23(3,4)26-22(28)24-14-18-12-17-8-5-6-11-20(17)25-21(18)27/h5-13H,1,14H2,2-4H3,(H,25,27)(H2,24,26,28)
InChIKeyUSHRWVBDGPIJAU-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.30
Rot. Bonds5

About 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 110324303) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID110324303
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C23H25N3O2/c1-15(2)16-9-7-10-19(13-16)23(3,4)26-22(28)24-14-18-12-17-8-5-6-11-20(17)25-21(18)27/h5-13H,1,14H2,2-4H3,(H,25,27)(H2,24,26,28)
InChIKeyUSHRWVBDGPIJAU-UHFFFAOYSA-N
XLogP4.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(naphthalen-1-ylmethyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 3856277
1-[2-(diethylamino)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2307820
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
2-[8-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]octylamino]ethylphosphonic acid
CID 170062116
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
CID 75403102
1-[2-(4-benzoylphenoxy)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 58664642
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
2-[4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]butylamino]ethylphosphonic acid
CID 169012887
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110429166
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyrimidin-2-ylurea
CID 2312275

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 110324303) is 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is USHRWVBDGPIJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)16-9-7-10-19(13-16)23(3,4)26-22(28)24-14-18-12-17-8-5-6-11-20(17)25-21(18)27/h5-13H,1,14H2,2-4H3,(H,25,27)(H2,24,26,28).
What are the key properties of 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 375.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 110324303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).